 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer01_STD_wB97XD_def2SVPD.in
 Output=31_naproxen_conformer01_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-41238.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     41240.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer01_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer01_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.701650000000      0.861049000000     -0.150441000000
  C                                                -1.142583000000     -0.492061000000     -0.146036000000
  C                                                 0.680291000000      1.135563000000     -0.261208000000
  C                                                 1.611358000000      0.129451000000     -0.370251000000
  C                                                 1.162418000000     -1.214398000000     -0.360965000000
  C                                                -0.168407000000     -1.514023000000     -0.252411000000
  C                                                -1.673067000000      1.886980000000     -0.044418000000
  H                                                 1.002631000000      2.171223000000     -0.269064000000
  H                                                 1.887775000000     -2.015222000000     -0.432725000000
  H                                                -0.492297000000     -2.547618000000     -0.243597000000
  C                                                 3.089483000000      0.433563000000     -0.483088000000
  C                                                 3.712284000000     -0.066300000000     -1.786151000000
  C                                                 3.873459000000     -0.077627000000      0.733351000000
  H                                                 3.203190000000      1.522932000000     -0.441764000000
  H                                                 4.768168000000      0.193895000000     -1.827559000000
  H                                                 3.198059000000      0.378934000000     -2.637902000000
  H                                                 3.635566000000     -1.150409000000     -1.866576000000
  O                                                 4.972607000000     -0.550358000000      0.679433000000
  O                                                 3.255984000000      0.083411000000      1.926913000000
  H                                                 2.348270000000      0.392671000000      1.784838000000
  C                                                -3.000863000000      1.591354000000      0.061295000000
  C                                                -3.436799000000      0.243260000000      0.067154000000
  C                                                -2.523995000000     -0.780170000000     -0.034789000000
  O                                                -4.779617000000      0.081304000000      0.178247000000
  C                                                -5.294817000000     -1.239834000000      0.194020000000
  H                                                -1.347302000000      2.919928000000     -0.048267000000
  H                                                -3.748933000000      2.368268000000      0.142782000000
  H                                                -2.835427000000     -1.814402000000     -0.032567000000
  H                                                -5.057543000000     -1.768200000000     -0.733736000000
  H                                                -6.373003000000     -1.140865000000      0.289516000000
  H                                                -4.903616000000     -1.806841000000      1.043513000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.423147   0.000000
     3  C    1.413290   2.446486   0.000000
     4  C    2.435890   2.832091   1.375150   0.000000
     5  C    2.797597   2.425076   2.400982   1.416885   0.000000
     6  C    2.436332   1.415889   2.782206   2.425378   1.368450
     7  C    1.416837   2.439585   2.479903   3.739321   4.214110
     8  H    2.152952   3.422011   1.084692   2.132984   3.390635
     9  H    3.880431   3.403716   3.378592   2.163315   1.082872
    10  H    3.416360   2.158172   3.865371   3.407067   2.128223
    11  C    3.829633   4.345200   2.519175   1.513298   2.538556
    12  C    4.797743   5.142080   3.600404   2.541059   3.138646
    13  C    4.753296   5.109379   3.557710   2.525454   3.136801
    14  H    3.971238   4.799312   2.558842   2.116798   3.415297
    15  H    5.759924   6.183448   4.477827   3.477549   4.139519
    16  H    4.650551   5.080276   3.544054   2.778867   3.444849
    17  H    5.079619   5.120975   4.066513   2.823907   2.896104
    18  O    5.905756   6.170928   4.706497   3.586359   4.005111
    19  O    4.536848   4.896496   3.539646   2.825575   3.361802
    20  H    3.642347   4.086206   2.742325   2.292757   2.931448
    21  C    2.421685   2.799430   3.723258   4.857569   5.038200
    22  C    2.812481   2.418589   4.225453   5.068349   4.843640
    23  C    2.455182   1.415515   3.740153   4.247480   3.726203
    24  O    4.164835   3.696204   5.578098   6.414650   6.105520
    25  C    5.062563   4.232712   6.446058   7.063186   6.481091
    26  H    2.160159   3.419523   2.709324   4.079719   4.846558
    27  H    3.412275   3.880458   4.615278   5.831657   6.100051
    28  H    3.424169   2.151089   4.595089   4.864822   4.055936
    29  H    5.121229   4.159427   6.448090   6.943158   6.255683
    30  H    6.030379   5.288473   7.431983   8.111659   7.563802
    31  H    5.118562   4.158009   6.445158   6.942106   6.254624
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724793   0.000000
     8  H    3.866865   2.700115   0.000000
     9  H    2.124052   5.296939   4.282124   0.000000
    10  H    1.083190   4.593425   4.950042   2.446213   0.000000
    11  C    3.802650   4.998673   2.724008   2.728220   4.666256
    12  C    4.416789   5.987566   3.827569   2.993141   5.120050
    13  C    4.401323   5.935365   3.782039   3.009476   5.110294
    14  H    4.541654   4.905945   2.300558   3.774776   5.501388
    15  H    5.455992   6.894609   4.529680   3.888756   6.139814
    16  H    4.539488   5.720859   3.693724   3.508794   5.283572
    17  H    4.148247   6.381816   4.529639   2.420455   4.650323
    18  O    5.312910   7.115445   4.905849   3.591505   5.891197
    19  O    4.362075   5.606652   3.776092   3.441533   5.067843
    20  H    3.757596   4.663720   3.031914   3.305691   4.563844
    21  C    4.214805   1.364409   4.058737   6.095099   4.849428
    22  C    3.724587   2.413507   4.851662   5.805317   4.068864
    23  C    2.476832   2.799618   4.604639   4.598633   2.700976
    24  O    4.898346   3.600097   6.164596   7.015898   5.046810
    25  C    5.153112   4.790709   7.176880   7.251459   4.996599
    26  H    4.592536   1.083106   2.476186   5.913479   5.537440
    27  H    5.296086   2.139136   4.773448   7.163705   5.909391
    28  H    2.692871   3.879620   5.538215   4.744375   2.464224
    29  H    4.919342   5.028934   7.242975   6.956225   4.657166
    30  H    6.239386   5.600782   8.104438   8.338260   6.070080
    31  H    4.918065   5.026366   7.240967   6.953107   4.654582
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528305   0.000000
    13  C    1.534815   2.524677   0.000000
    14  H    1.096067   2.142945   2.095697   0.000000
    15  H    2.164030   1.088259   2.726259   2.477080   0.000000
    16  H    2.158239   1.090019   3.468423   2.476243   1.776552
    17  H    2.172835   1.089792   2.822601   3.060031   1.758256
    18  O    2.421923   2.811020   1.197710   2.947279   2.623112
    19  O    2.440990   3.743991   1.353440   2.772298   4.049070
    20  H    2.386327   3.850085   1.911284   2.639344   4.352566
    21  C    6.223275   7.157319   7.105875   6.224791   8.116557
    22  C    6.552201   7.391884   7.347561   6.781299   8.421037
    23  C    5.760664   6.516752   6.481591   6.186320   7.572217
    24  O    7.904694   8.717398   8.672319   8.135595   9.756851
    25  C    8.576434   9.296565   9.257369   8.958416  10.363688
    26  H    5.104522   6.126762   6.070635   4.776339   6.927922
    27  H    7.134335   8.081934   8.026957   7.027681   9.008393
    28  H    6.353021   7.000245   6.972243   6.911594   8.066592
    29  H    8.443022   8.995216   9.207235   8.896994  10.079229
    30  H    9.623637  10.352589  10.311035   9.966647  11.418813
    31  H    8.440353   9.234187   8.951169   8.888967  10.285398
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767837   0.000000
    18  O    3.875218   2.937669   0.000000
    19  O    4.574738   4.007113   2.214648   0.000000
    20  H    4.503661   4.167859   2.999728   0.969418   0.000000
    21  C    6.868934   7.434793   8.279206   6.700937   5.746361
    22  C    7.166385   7.463241   8.468933   6.948208   6.036538
    23  C    6.392310   6.436825   7.534054   6.164593   5.331563
    24  O    8.465376   8.747212   9.785502   8.223668   7.313334
    25  C    9.097754   9.165467  10.301990   8.824403   7.975748
    26  H    5.815769   6.686020   7.246632   5.756510   4.837825
    27  H    7.742761   8.423149   9.212580   7.581066   6.616284
    28  H    6.928308   6.758567   7.941671   6.674320   5.919869
    29  H    8.740194   8.788352  10.202161   8.923130   8.115334
    30  H   10.123477  10.238177  11.367656   9.843643   8.980441
    31  H    9.163382   9.045283   9.962484   8.422145   7.614280
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.416839   0.000000
    23  C    2.420901   1.375141   0.000000
    24  O    2.336214   1.357104   2.423913   0.000000
    25  C    3.646295   2.380734   2.817996   1.418127   0.000000
    26  H    2.124000   3.397627   3.882720   4.459807   5.739791
    27  H    1.081593   2.149141   3.382997   2.508739   3.925657
    28  H    3.411063   2.146058   1.080107   2.723604   2.535758
    29  H    4.018533   2.704479   2.807774   2.080774   1.093710
    30  H    4.346083   3.253696   3.879451   2.011208   1.086922
    31  H    4.016584   2.703284   2.807024   2.080662   1.093697
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471570   0.000000
    28  H    4.962725   4.284853   0.000000
    29  H    6.017832   4.426185   2.330573   0.000000
    30  H    6.470070   4.384209   3.615499   1.780738   0.000000
    31  H    6.015122   4.424494   2.331397   1.784321   1.780768
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.22D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3888905           0.2034593           0.1967639
 Leave Link  202 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2190356318 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0210568263 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1979788055 Hartrees.
 Leave Link  301 at Thu Aug 12 22:36:17 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.46D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 22:36:18 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:36:19 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer01_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:36:20 2021, MaxMem=  5368709120 cpu:               8.2 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.838282741482    
 DIIS: error= 3.77D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.838282741482     IErMin= 1 ErrMin= 3.77D-03
 ErrMax= 3.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-02 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.77D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.303 Goal=   None    Shift=    0.000
 GapD=    0.303 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.00D-02 MaxDP=4.07D-01              OVMax= 1.63D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.97D-03    CP:  9.73D-01
 E= -766.853981192813     Delta-E=       -0.015698451332 Rises=F Damp=F
 DIIS: error= 8.36D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.853981192813     IErMin= 2 ErrMin= 8.36D-04
 ErrMax= 8.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.64D-04 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.36D-03
 Coeff-Com: -0.316D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.314D-03 0.100D+01
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=1.27D-03 MaxDP=6.11D-02 DE=-1.57D-02 OVMax= 7.69D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.78D-04    CP:  9.92D-01  1.09D+00
 E= -766.854502159532     Delta-E=       -0.000520966718 Rises=F Damp=F
 DIIS: error= 9.59D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.854502159532     IErMin= 2 ErrMin= 8.36D-04
 ErrMax= 9.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-04 BMatP= 6.64D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.59D-03
 Coeff-Com: -0.451D-01 0.489D+00 0.556D+00
 Coeff-En:   0.000D+00 0.101D+00 0.899D+00
 Coeff:     -0.447D-01 0.486D+00 0.559D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.37D-04 MaxDP=4.51D-03 DE=-5.21D-04 OVMax= 2.92D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.19D-04    CP:  9.92D-01  1.09D+00  1.04D+00
 E= -766.854891455915     Delta-E=       -0.000389296383 Rises=F Damp=F
 DIIS: error= 1.59D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.854891455915     IErMin= 4 ErrMin= 1.59D-04
 ErrMax= 1.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-05 BMatP= 5.69D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.59D-03
 Coeff-Com: -0.155D-01 0.914D-01 0.182D+00 0.742D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.155D-01 0.913D-01 0.182D+00 0.742D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=7.42D-05 MaxDP=2.66D-03 DE=-3.89D-04 OVMax= 1.00D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.71D-05    CP:  9.91D-01  1.09D+00  1.07D+00  1.12D+00
 E= -766.854910556437     Delta-E=       -0.000019100522 Rises=F Damp=F
 DIIS: error= 5.16D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.854910556437     IErMin= 5 ErrMin= 5.16D-05
 ErrMax= 5.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-06 BMatP= 1.96D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.961D-03-0.338D-01-0.262D-01 0.238D+00 0.821D+00
 Coeff:      0.961D-03-0.338D-01-0.262D-01 0.238D+00 0.821D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=2.67D-05 MaxDP=1.20D-03 DE=-1.91D-05 OVMax= 6.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.90D-05    CP:  9.91D-01  1.09D+00  1.09D+00  1.15D+00  9.57D-01
 E= -766.854913769404     Delta-E=       -0.000003212967 Rises=F Damp=F
 DIIS: error= 1.32D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.854913769404     IErMin= 6 ErrMin= 1.32D-05
 ErrMax= 1.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-07 BMatP= 2.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-02-0.194D-01-0.215D-01 0.595D-01 0.345D+00 0.635D+00
 Coeff:      0.129D-02-0.194D-01-0.215D-01 0.595D-01 0.345D+00 0.635D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=6.39D-06 MaxDP=2.88D-04 DE=-3.21D-06 OVMax= 1.99D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.88D-06    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.00D+00
                    CP:  9.72D-01
 E= -766.854914112941     Delta-E=       -0.000000343537 Rises=F Damp=F
 DIIS: error= 5.47D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.854914112941     IErMin= 7 ErrMin= 5.47D-06
 ErrMax= 5.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-08 BMatP= 3.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.371D-03-0.217D-02-0.424D-02-0.183D-01-0.573D-02 0.258D+00
 Coeff-Com:  0.772D+00
 Coeff:      0.371D-03-0.217D-02-0.424D-02-0.183D-01-0.573D-02 0.258D+00
 Coeff:      0.772D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=3.45D-06 MaxDP=1.93D-04 DE=-3.44D-07 OVMax= 1.24D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.32D-06    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.01D+00
                    CP:  1.01D+00  1.27D+00
 E= -766.854914198854     Delta-E=       -0.000000085913 Rises=F Damp=F
 DIIS: error= 2.38D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.854914198854     IErMin= 8 ErrMin= 2.38D-06
 ErrMax= 2.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-09 BMatP= 4.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.740D-04 0.238D-02 0.229D-02-0.152D-01-0.571D-01-0.350D-01
 Coeff-Com:  0.252D+00 0.851D+00
 Coeff:     -0.740D-04 0.238D-02 0.229D-02-0.152D-01-0.571D-01-0.350D-01
 Coeff:      0.252D+00 0.851D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.24D-06 MaxDP=5.83D-05 DE=-8.59D-08 OVMax= 6.97D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.76D-07    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.01D+00
                    CP:  1.04D+00  1.34D+00  1.20D+00
 E= -766.854914214318     Delta-E=       -0.000000015465 Rises=F Damp=F
 DIIS: error= 1.15D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.854914214318     IErMin= 9 ErrMin= 1.15D-06
 ErrMax= 1.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 7.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.922D-04 0.146D-02 0.179D-02-0.445D-02-0.259D-01-0.620D-01
 Coeff-Com: -0.252D-02 0.430D+00 0.662D+00
 Coeff:     -0.922D-04 0.146D-02 0.179D-02-0.445D-02-0.259D-01-0.620D-01
 Coeff:     -0.252D-02 0.430D+00 0.662D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=4.96D-07 MaxDP=1.84D-05 DE=-1.55D-08 OVMax= 2.70D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.29D-07    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.01D+00
                    CP:  1.04D+00  1.38D+00  1.22D+00  1.13D+00
 E= -766.854914217270     Delta-E=       -0.000000002952 Rises=F Damp=F
 DIIS: error= 2.99D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.854914217270     IErMin=10 ErrMin= 2.99D-07
 ErrMax= 2.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-11 BMatP= 1.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.178D-04 0.115D-03 0.215D-03 0.644D-03 0.555D-04-0.121D-01
 Coeff-Com: -0.316D-01 0.650D-02 0.146D+00 0.890D+00
 Coeff:     -0.178D-04 0.115D-03 0.215D-03 0.644D-03 0.555D-04-0.121D-01
 Coeff:     -0.316D-01 0.650D-02 0.146D+00 0.890D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=2.04D-07 MaxDP=6.78D-06 DE=-2.95D-09 OVMax= 1.02D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.42D-07    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.01D+00
                    CP:  1.03D+00  1.39D+00  1.25D+00  1.18D+00  1.08D+00
 E= -766.854914217464     Delta-E=       -0.000000000194 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.854914217464     IErMin=11 ErrMin= 1.28D-07
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-11 BMatP= 9.91D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.897D-05-0.214D-03-0.231D-03 0.109D-02 0.469D-02 0.515D-02
 Coeff-Com: -0.143D-01-0.686D-01-0.508D-01 0.411D+00 0.712D+00
 Coeff:      0.897D-05-0.214D-03-0.231D-03 0.109D-02 0.469D-02 0.515D-02
 Coeff:     -0.143D-01-0.686D-01-0.508D-01 0.411D+00 0.712D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=7.96D-08 MaxDP=3.13D-06 DE=-1.94D-10 OVMax= 3.23D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.58D-08    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.01D+00
                    CP:  1.03D+00  1.39D+00  1.26D+00  1.21D+00  1.17D+00
                    CP:  9.60D-01
 E= -766.854914217589     Delta-E=       -0.000000000125 Rises=F Damp=F
 DIIS: error= 3.96D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.854914217589     IErMin=12 ErrMin= 3.96D-08
 ErrMax= 3.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-12 BMatP= 3.25D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.419D-05-0.692D-04-0.831D-04 0.223D-03 0.122D-02 0.269D-02
 Coeff-Com: -0.798D-04-0.177D-01-0.322D-01 0.685D-02 0.183D+00 0.857D+00
 Coeff:      0.419D-05-0.692D-04-0.831D-04 0.223D-03 0.122D-02 0.269D-02
 Coeff:     -0.798D-04-0.177D-01-0.322D-01 0.685D-02 0.183D+00 0.857D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=2.89D-08 MaxDP=9.11D-07 DE=-1.25D-10 OVMax= 1.21D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.13D-08    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.01D+00
                    CP:  1.03D+00  1.39D+00  1.26D+00  1.21D+00  1.19D+00
                    CP:  1.05D+00  1.07D+00
 E= -766.854914217630     Delta-E=       -0.000000000040 Rises=F Damp=F
 DIIS: error= 1.54D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.854914217630     IErMin=13 ErrMin= 1.54D-08
 ErrMax= 1.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-13 BMatP= 1.89D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.626D-06-0.269D-05-0.527D-05-0.348D-04-0.498D-04 0.457D-03
 Coeff-Com:  0.151D-02 0.127D-02-0.741D-02-0.437D-01-0.179D-01 0.335D+00
 Coeff-Com:  0.730D+00
 Coeff:      0.626D-06-0.269D-05-0.527D-05-0.348D-04-0.498D-04 0.457D-03
 Coeff:      0.151D-02 0.127D-02-0.741D-02-0.437D-01-0.179D-01 0.335D+00
 Coeff:      0.730D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=4.75D-07 DE=-4.05D-11 OVMax= 5.11D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.98D-09    CP:  9.91D-01  1.09D+00  1.09D+00  1.16D+00  1.01D+00
                    CP:  1.03D+00  1.39D+00  1.26D+00  1.21D+00  1.19D+00
                    CP:  1.06D+00  1.14D+00  9.34D-01
 E= -766.854914217433     Delta-E=        0.000000000196 Rises=F Damp=F
 DIIS: error= 7.25D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -766.854914217630     IErMin=14 ErrMin= 7.25D-09
 ErrMax= 7.25D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-14 BMatP= 4.07D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.441D-06 0.101D-04 0.119D-04-0.499D-04-0.213D-03-0.286D-03
 Coeff-Com:  0.477D-03 0.345D-02 0.246D-02-0.152D-01-0.382D-01-0.205D-01
 Coeff-Com:  0.250D+00 0.818D+00
 Coeff:     -0.441D-06 0.101D-04 0.119D-04-0.499D-04-0.213D-03-0.286D-03
 Coeff:      0.477D-03 0.345D-02 0.246D-02-0.152D-01-0.382D-01-0.205D-01
 Coeff:      0.250D+00 0.818D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=4.75D-09 MaxDP=2.43D-07 DE= 1.96D-10 OVMax= 2.67D-07

 SCF Done:  E(RwB97XD) =  -766.854914217     A.U. after   14 cycles
            NFock= 14  Conv=0.47D-08     -V/T= 2.0108
 KE= 7.586743003792D+02 PE=-4.050582059847D+03 EE= 1.390854866445D+03
 Leave Link  502 at Thu Aug 12 22:45:39 2021, MaxMem=  5368709120 cpu:            4464.6 elap:             558.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.51556135D+02

 Leave Link  801 at Thu Aug 12 22:45:40 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9484 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 5.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.14D-01 1.03D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 5.36D-02 1.09D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 7.14D-03 3.57D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.63D-03 1.40D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 2.21D-04 3.81D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.18D-05 6.78D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 5.05D-07 1.02D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 2.34D-08 2.49D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 8.81D-10 4.86D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 3.05D-11 1.01D-06.
     10 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.27D-12 1.43D-07.
      7 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.07D-13 3.61D-08.
      2 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 4.63D-14 1.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   140 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.296082D+03
      2 -0.914782D+01  0.170287D+03
      3 -0.129695D+02  0.210864D+01  0.118656D+03
 Isotropic polarizability for W=    0.088559      195.01 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.268856D+03 -0.850644D+02  0.420461D+02
      2   0.843533D+02  0.665614D+02  0.553597D+01
      3   0.184502D+03  0.185030D+02 -0.475821D+02
      4  -0.764794D+02 -0.164502D+03 -0.123273D+01
      5  -0.326172D+02 -0.263158D+01  0.749416D+02
      6  -0.364607D+01 -0.448475D+02 -0.121571D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.295933D+01 -0.246128D+02  0.289702D+01
      2   0.445784D+02  0.775069D+00  0.308796D+02
      3   0.752098D+02  0.664960D+02 -0.253042D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.139885D+01 -0.503834D+02  0.306601D+02
      2   0.746633D+02  0.241334D+01 -0.109561D+03
      3   0.858503D+01  0.248855D+03 -0.101449D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.122739D+01 -0.195643D+01 -0.146211D+02
      2  -0.195643D+01 -0.214154D+01 -0.693215D+01
      3  -0.146211D+02 -0.693215D+01 -0.134575D+01
 OR G Eigenvalues:   -18.4021    -0.4676    14.1550  Iso=     1.5716
 Eigenvectors:
   (1)   0.626651   0.368205   0.686829
   (2)  -0.421469   0.901453  -0.098723
   (3)  -0.655494  -0.227612   0.720084
 w=    0.088559 a.u., Optical Rotation Beta=      1.5716 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      346.09 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.50D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.25D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.22D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 7.54D-02 5.33D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 4.46D-03 1.91D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.02D-04 1.52D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 4.98D-06 3.31D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 9.54D-08 4.56D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 1.39D-09 4.84D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 1.90D-11 5.37D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 2.66D-13 6.57D-08.
     11 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 1.61D-13 2.29D-08.
      3 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 3.55D-14 1.32D-08.
      1 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 5.09D-15 4.57D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   285 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.37D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.37D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.66D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.296082D+03 -0.914782D+01 -0.129695D+02
      2  -0.914782D+01  0.170287D+03  0.210864D+01
      3  -0.129695D+02  0.210864D+01  0.118656D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.295933D+01 -0.246128D+02  0.289702D+01
      2   0.445784D+02  0.775069D+00  0.308796D+02
      3   0.752098D+02  0.664960D+02 -0.253042D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.268856D+03 -0.850644D+02  0.420461D+02
      2   0.843533D+02  0.665614D+02  0.553597D+01
      3   0.184502D+03  0.185030D+02 -0.475821D+02
      4  -0.764794D+02 -0.164502D+03 -0.123273D+01
      5  -0.326172D+02 -0.263158D+01  0.749416D+02
      6  -0.364607D+01 -0.448475D+02 -0.121571D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.321260D+02 -0.206999D+01 -0.200388D+01  0.469867D+02 -0.794298D+01
      2  -0.206999D+01 -0.303258D+00  0.326023D+00 -0.794298D+01  0.852503D+01
      3  -0.200388D+01  0.326023D+00 -0.187009D+00 -0.364684D+01  0.789169D+00
                 6             7             8             9            10 
      1  -0.364684D+01 -0.119190D+01 -0.525579D-01  0.108659D+01 -0.356971D+02
      2   0.789169D+00 -0.525579D-01  0.155204D+00  0.121422D+01  0.284300D+01
      3   0.584256D-01  0.108659D+01  0.121422D+01 -0.730222D-01  0.221833D+01
                11            12            13            14            15 
      1   0.284300D+01  0.221833D+01 -0.468838D+02  0.731880D+01  0.369651D+01
      2  -0.411372D+01 -0.226259D+00  0.731880D+01 -0.684281D+01 -0.830289D+00
      3  -0.226259D+00  0.388050D-01  0.369651D+01 -0.830289D+00  0.394371D-01
                16            17            18            19            20 
      1   0.175815D+01 -0.104469D+00 -0.121734D+01 -0.419323D+02  0.525694D+01
      2  -0.104469D+00  0.254905D+00 -0.960306D+00  0.525694D+01 -0.450528D+01
      3  -0.121734D+01 -0.960306D+00 -0.864915D-02  0.214528D+01 -0.294804D+00
                21            22            23            24            25 
      1   0.214528D+01  0.183942D+02 -0.201026D+01 -0.305349D+00  0.411420D+01
      2  -0.294804D+00 -0.201026D+01  0.355011D+01  0.270676D+00  0.204890D+00
      3  -0.491937D+00 -0.305349D+00  0.270676D+00  0.223353D+01  0.117699D+01
                26            27            28            29            30 
      1   0.204890D+00  0.117699D+01  0.459009D+02 -0.303010D+01 -0.151163D+01
      2   0.268142D+00  0.391028D+01 -0.303010D+01  0.375368D+01  0.294180D+00
      3   0.391028D+01  0.495243D-01 -0.151163D+01  0.294180D+00  0.225420D+01
                31            32            33            34            35 
      1  -0.575791D+01  0.650141D+00  0.175809D+00 -0.777074D+00  0.132991D+00
      2   0.650141D+00 -0.810152D+01 -0.610775D+00  0.132991D+00 -0.100330D+01
      3   0.175809D+00 -0.610775D+00 -0.611072D+00  0.643308D+01 -0.771545D+00
                36            37            38            39            40 
      1   0.643308D+01  0.839391D+01  0.883294D-01 -0.327998D+00 -0.869451D+01
      2  -0.771545D+00  0.883294D-01  0.857079D+01  0.265944D+00  0.203632D+01
      3  -0.994789D+00 -0.327998D+00  0.265944D+00  0.160881D+01  0.236037D-01
                41            42            43            44            45 
      1   0.203632D+01  0.236037D-01 -0.108431D+01 -0.124134D+00  0.437741D+01
      2   0.384379D+01  0.133563D+00 -0.124134D+00 -0.651411D+00 -0.235555D+01
      3   0.133563D+00 -0.106546D+01  0.437741D+01 -0.235555D+01 -0.127213D+01
                46            47            48            49            50 
      1  -0.117649D+02  0.845232D+00  0.106863D+01 -0.938583D+00  0.111768D+01
      2   0.845232D+00 -0.543513D+01 -0.842849D+00  0.111768D+01 -0.548619D+00
      3   0.106863D+01 -0.842849D+00 -0.130284D+01  0.377735D-01 -0.246673D-02
                51            52            53            54            55 
      1   0.377735D-01  0.788091D+00 -0.496416D+00 -0.128237D+01  0.139735D+02
      2  -0.246673D-02 -0.496416D+00  0.663666D+00 -0.400315D+01 -0.307906D+01
      3  -0.138046D+01 -0.128237D+01 -0.400315D+01  0.650683D-03 -0.106098D+01
                56            57            58            59            60 
      1  -0.307906D+01 -0.106098D+01 -0.781964D+00 -0.102688D+01  0.200618D+00
      2   0.991758D+01  0.653127D+00 -0.102688D+01 -0.140355D+00 -0.491737D-01
      3   0.653127D+00  0.139829D+01  0.200618D+00 -0.491737D-01  0.142184D+01
                61            62            63            64            65 
      1  -0.106825D+01  0.559006D+00  0.112096D+01  0.108751D+01  0.213862D+01
      2   0.559006D+00 -0.105367D+01  0.400789D+01  0.213862D+01  0.152820D+01
      3   0.112096D+01  0.400789D+01 -0.173406D+00 -0.694807D-01 -0.166767D+00
                66            67            68            69            70 
      1  -0.694807D-01  0.243230D+01  0.291321D+01 -0.142023D+00 -0.221824D+00
      2  -0.166767D+00  0.291321D+01  0.751784D+01 -0.236464D+00 -0.172693D+00
      3   0.177823D+00 -0.142023D+00 -0.236464D+00  0.816097D+00 -0.915801D-01
                71            72            73            74            75 
      1  -0.172693D+00 -0.915801D-01  0.586373D+01 -0.287014D+01 -0.565241D+00
      2  -0.498975D-01  0.725137D-01 -0.287014D+01  0.265368D+01  0.260363D+00
      3   0.725137D-01 -0.584659D-01 -0.565241D+00  0.260363D+00  0.543775D+00
                76            77            78            79            80 
      1  -0.400334D+01  0.405135D+01  0.479411D+00 -0.595557D+00  0.193329D+00
      2   0.405135D+01 -0.494903D+01 -0.456418D+00  0.193329D+00 -0.196254D+00
      3   0.479411D+00 -0.456418D+00 -0.759335D+00 -0.393058D+00 -0.199171D+00
                81            82            83            84            85 
      1  -0.393058D+00 -0.100957D+01 -0.150493D+01  0.418364D-01 -0.779133D+00
      2  -0.199171D+00 -0.150493D+01 -0.202252D+01  0.592138D-01 -0.138330D+01
      3   0.479792D-01  0.418364D-01  0.592138D-01 -0.196579D+00 -0.616653D-01
                86            87            88            89            90 
      1  -0.138330D+01 -0.616653D-01  0.174007D+00  0.116202D+00  0.102611D+00
      2  -0.985607D+01 -0.141848D+00  0.116202D+00 -0.332333D-01 -0.147349D+00
      3  -0.141848D+00 -0.883352D+00  0.102611D+00 -0.147349D+00 -0.281210D-01
                91            92            93            94            95 
      1  -0.150335D+02  0.184866D+01  0.618897D-01  0.199695D+01 -0.577344D+00
      2   0.184866D+01 -0.348448D+00 -0.894215D-01 -0.577344D+00 -0.489378D+01
      3   0.618897D-01 -0.894215D-01 -0.328920D+01 -0.105086D+01  0.640069D-01
                96            97            98            99           100 
      1  -0.105086D+01 -0.256685D+00 -0.483026D+00 -0.755876D+01 -0.660113D+01
      2   0.640069D-01 -0.483026D+00 -0.322087D+00  0.130750D+01 -0.221745D+01
      3   0.116827D+01 -0.755876D+01  0.130750D+01  0.787217D-01  0.128733D+01
               101           102           103           104           105 
      1  -0.221745D+01  0.128733D+01 -0.567759D+01  0.622281D+00  0.861038D+00
      2   0.289865D+00 -0.275050D+00  0.622281D+00  0.438007D+01  0.119020D+01
      3  -0.275050D+00  0.340795D+01  0.861038D+00  0.119020D+01 -0.265292D+01
               106           107           108           109           110 
      1  -0.453919D+01  0.502842D+00  0.531173D+01 -0.717054D+01  0.235766D+01
      2   0.502842D+00  0.589758D+00 -0.215116D+01  0.235766D+01 -0.769544D+00
      3   0.531173D+01 -0.215116D+01 -0.369947D+00  0.102683D-02  0.327932D+00
               111           112           113           114           115 
      1   0.102683D-02  0.192334D+01 -0.596929D+00  0.691898D+00  0.703118D+01
      2   0.327932D+00 -0.596929D+00  0.104687D+01  0.237025D+00 -0.331986D+00
      3   0.108177D+01  0.691898D+00  0.237025D+00 -0.534441D+00  0.416302D+01
               116           117           118           119           120 
      1  -0.331986D+00  0.416302D+01 -0.105909D+01  0.135585D+01  0.439056D-01
      2   0.932932D+00 -0.514806D+00  0.135585D+01  0.783917D+00 -0.988420D-01
      3  -0.514806D+00  0.414277D+00  0.439056D-01 -0.988420D-01  0.823063D+00
               121           122           123           124           125 
      1   0.314797D+01  0.187844D+01 -0.529248D-02  0.495749D+00 -0.444307D-01
      2   0.187844D+01  0.644458D+01 -0.289767D+00 -0.444307D-01 -0.103788D-01
      3  -0.529248D-02 -0.289767D+00  0.143441D+01  0.117236D+01  0.817215D+00
               126           127           128           129           130 
      1   0.117236D+01  0.142939D+02  0.125896D+01 -0.327208D+01  0.278746D+01
      2   0.817215D+00  0.125896D+01  0.114474D+01 -0.171978D+00  0.141445D+01
      3  -0.260083D+00 -0.327208D+01 -0.171978D+00  0.216418D+01 -0.814039D+00
               131           132           133           134           135 
      1   0.141445D+01 -0.814039D+00 -0.991576D+00 -0.181249D+00  0.102893D+01
      2   0.258924D+00 -0.456038D+00 -0.181249D+00 -0.111616D-01  0.403247D+00
      3  -0.456038D+00  0.879008D+00  0.102893D+01  0.403247D+00 -0.408110D+00
               136           137           138           139           140 
      1  -0.518261D+00  0.524317D+00 -0.846315D+00  0.131306D+01 -0.733647D-01
      2   0.524317D+00 -0.636259D+00  0.505184D+00 -0.733647D-01  0.744157D+00
      3  -0.846315D+00  0.505184D+00 -0.299339D+01 -0.227773D+00 -0.149338D+01
               141           142           143           144           145 
      1  -0.227773D+00 -0.662252D+00 -0.287403D-01 -0.439592D+00  0.711054D+00
      2  -0.149338D+01 -0.287403D-01 -0.125897D+01  0.153505D+01 -0.739233D+00
      3   0.271051D+01 -0.439592D+00  0.153505D+01 -0.670447D+01 -0.148895D+00
               146           147           148           149           150 
      1  -0.739233D+00 -0.148895D+00 -0.237203D+01  0.811037D+00  0.930987D+00
      2   0.299191D-01  0.272908D-01  0.811037D+00 -0.596768D+01 -0.165265D+01
      3   0.272908D-01 -0.503480D+00  0.930987D+00 -0.165265D+01 -0.203120D+01
               151           152           153           154           155 
      1   0.106197D+00  0.233646D+00 -0.149722D+00  0.193745D+02 -0.343313D+01
      2   0.233646D+00 -0.719974D+00 -0.770982D+00 -0.343313D+01  0.221886D+01
      3  -0.149722D+00 -0.770982D+00 -0.697657D+00  0.929795D+00 -0.280838D+00
               156           157           158           159           160 
      1   0.929795D+00 -0.599715D+01  0.455274D+01 -0.570649D+00  0.134659D+01
      2  -0.280838D+00  0.455274D+01 -0.308791D+01  0.219046D+00 -0.324223D+00
      3   0.294135D+01 -0.570649D+00  0.219046D+00 -0.105855D+01  0.251581D+01
               161           162           163           164           165 
      1  -0.324223D+00  0.251581D+01  0.115256D+02 -0.123612D+01  0.381262D+01
      2  -0.297201D+00 -0.842554D+00 -0.123612D+01  0.982519D-01  0.219444D+00
      3  -0.842554D+00 -0.232162D+00  0.381262D+01  0.219444D+00  0.108369D+01
               166           167           168           169           170 
      1  -0.351337D+01  0.248678D+00 -0.654614D+00  0.155303D+01  0.500247D+00
      2   0.248678D+00  0.198299D+00  0.143672D+01  0.500247D+00  0.546688D+00
      3  -0.654614D+00  0.143672D+01 -0.514193D+00  0.765650D+00  0.308950D+00
               171           172           173           174           175 
      1   0.765650D+00 -0.101465D+02  0.934885D+00 -0.203123D+01  0.287693D+01
      2   0.308950D+00  0.934885D+00 -0.343591D+00 -0.212916D+00 -0.109639D+00
      3   0.745111D+01 -0.203123D+01 -0.212916D+00 -0.285037D+01  0.582844D+00
               176           177           178           179           180 
      1  -0.109639D+00  0.582844D+00 -0.514079D+01 -0.750904D-02 -0.199483D+01
      2   0.569295D+00  0.697952D+00 -0.750904D-02  0.942922D+00  0.214271D+00
      3   0.697952D+00  0.102392D+01 -0.199483D+01  0.214271D+00  0.389305D+00
               181           182           183           184           185 
      1  -0.125251D+02  0.925971D+00  0.459822D+00  0.590110D+01 -0.833630D-01
      2   0.925971D+00 -0.106754D+02  0.133076D+00 -0.833630D-01 -0.652981D+01
      3   0.459822D+00  0.133076D+00 -0.169347D+01 -0.242964D+00 -0.757554D-01
               186           187           188           189           190 
      1  -0.242964D+00  0.330412D+00  0.262733D+00 -0.511027D+01 -0.361526D+02
      2  -0.757554D-01  0.262733D+00  0.622712D+00  0.290616D+01  0.968319D+00
      3   0.997382D+00 -0.511027D+01  0.290616D+01  0.108263D+01  0.186039D+01
               191           192           193           194           195 
      1   0.968319D+00  0.186039D+01  0.143112D+02 -0.558649D+00 -0.812431D+00
      2  -0.658427D+01 -0.126516D+00 -0.558649D+00  0.140720D+02  0.121636D+00
      3  -0.126516D+00 -0.290709D+01 -0.812431D+00  0.121636D+00  0.370226D+00
               196           197           198           199           200 
      1   0.220197D+01  0.125571D+00 -0.673913D+01  0.399013D+02 -0.418133D+01
      2   0.125571D+00  0.828120D+00  0.702325D+00 -0.418133D+01  0.829402D+01
      3  -0.673913D+01  0.702325D+00  0.126915D+01 -0.277988D+01  0.134600D-01
               201           202           203           204           205 
      1  -0.277988D+01 -0.172825D+02 -0.507502D+00  0.107945D+01 -0.376648D+01
      2   0.134600D-01 -0.507502D+00 -0.545132D+01  0.813390D-01 -0.479159D-02
      3   0.294405D+00  0.107945D+01  0.813390D-01 -0.223479D+01  0.448237D+00
               206           207           208           209           210 
      1  -0.479159D-02  0.448237D+00  0.553041D+01  0.123072D+01 -0.396069D+00
      2  -0.647730D+00 -0.387999D+01  0.123072D+01  0.173581D+01  0.547862D-01
      3  -0.387999D+01 -0.316835D+00 -0.396069D+00  0.547862D-01  0.134306D+00
               211           212           213           214           215 
      1   0.210184D+01 -0.160919D+01 -0.284137D+00 -0.479635D+00 -0.851818D-01
      2  -0.160919D+01  0.184841D+01  0.193416D+00 -0.851818D-01 -0.127781D+00
      3  -0.284137D+00  0.193416D+00 -0.831966D+00 -0.474434D+00  0.419558D+00
               216           217           218           219           220 
      1  -0.474434D+00  0.309900D+01 -0.132004D+01 -0.455635D+00 -0.351110D+01
      2   0.419558D+00 -0.132004D+01 -0.278382D+01  0.408753D+00  0.466841D-01
      3   0.680026D-01 -0.455635D+00  0.408753D+00 -0.203684D+01  0.730650D+00
               221           222           223           224           225 
      1   0.466841D-01  0.730650D+00 -0.275258D+00  0.443099D+00  0.618329D+00
      2  -0.102526D+01 -0.239474D+00  0.443099D+00  0.452407D-01  0.389133D+01
      3  -0.239474D+00  0.525904D+01  0.618329D+00  0.389133D+01  0.402367D+00
               226           227           228           229           230 
      1   0.782367D+00  0.126885D+01 -0.434456D-01  0.403973D+00  0.754086D+00
      2   0.126885D+01  0.227308D+01 -0.569563D-01  0.754086D+00  0.104041D+02
      3  -0.434456D-01 -0.569563D-01  0.196993D+00  0.569911D-01  0.860871D-01
               231           232           233           234           235 
      1   0.569911D-01 -0.778850D-01 -0.682951D-01 -0.219029D+00 -0.704043D+01
      2   0.860871D-01 -0.682951D-01  0.436922D-01  0.194753D+00  0.444234D+01
      3   0.892456D+00 -0.219029D+00  0.194753D+00  0.528215D-01  0.640831D+00
               236           237           238           239           240 
      1   0.444234D+01  0.640831D+00  0.512890D+01 -0.503878D+01 -0.458512D+00
      2  -0.388120D+01 -0.401739D+00 -0.503878D+01  0.584869D+01  0.498492D+00
      3  -0.401739D+00 -0.716298D+00 -0.458512D+00  0.498492D+00  0.840891D+00
               241           242           243           244           245 
      1   0.739154D+00 -0.453318D+00  0.247491D+00 -0.172024D+01 -0.218620D+01
      2  -0.453318D+00  0.430479D+00  0.322796D+00 -0.218620D+01 -0.118400D+01
      3   0.247491D+00  0.322796D+00  0.321159D-01  0.712167D-01  0.160458D+00
               246           247           248           249           250 
      1   0.712167D-01 -0.317984D+01 -0.305482D+01  0.120900D+00  0.322984D-01
      2   0.160458D+00 -0.305482D+01 -0.659324D+01  0.818801D-01  0.122563D+00
      3  -0.923899D-01  0.120900D+00  0.818801D-01 -0.619055D+00 -0.815566D-01
               251           252           253           254           255 
      1   0.122563D+00 -0.815566D-01  0.395797D+00  0.414169D+00 -0.673570D+00
      2  -0.593610D-01  0.121415D+00  0.414169D+00  0.517888D+00  0.200660D-01
      3   0.121415D+00  0.276402D-02 -0.673570D+00  0.200660D-01  0.880693D+00
               256           257           258           259           260 
      1  -0.743133D+00 -0.149641D+01 -0.100290D+01 -0.345931D+01 -0.202775D+01
      2  -0.149641D+01 -0.260729D+01 -0.183637D+01 -0.202775D+01 -0.248273D+01
      3  -0.100290D+01 -0.183637D+01 -0.229321D+01 -0.182477D+01 -0.253586D+01
               261           262           263           264           265 
      1  -0.182477D+01 -0.153600D+02 -0.133914D+01  0.102594D+01  0.107277D+01
      2  -0.253586D+01 -0.133914D+01 -0.113177D+01  0.736696D-01 -0.105597D+01
      3  -0.470720D+01  0.102594D+01  0.736696D-01 -0.123121D+01 -0.865950D-01
               266           267           268           269           270 
      1  -0.105597D+01 -0.865950D-01  0.115348D+01  0.867491D-01 -0.149586D+01
      2   0.247458D+00  0.108006D+00  0.867491D-01  0.124567D+00 -0.455732D+00
      3   0.108006D+00 -0.959164D-01 -0.149586D+01 -0.455732D+00  0.327402D+00
               271           272           273           274           275 
      1   0.771914D+00  0.504049D+00  0.517481D+00 -0.662761D+00 -0.129050D+01
      2   0.504049D+00  0.907936D+00 -0.558036D+00 -0.129050D+01 -0.290486D+01
      3   0.517481D+00 -0.558036D+00  0.146200D+01  0.698165D+00  0.216166D+01
               276           277           278           279 
      1   0.698165D+00  0.276346D+01  0.150690D+01 -0.149693D+01
      2   0.216166D+01  0.150690D+01  0.247611D+01 -0.276132D+01
      3  -0.257953D+01 -0.149693D+01 -0.276132D+01  0.463622D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243469D+01  0.308032D+01 -0.945702D-02  0.522726D+01 -0.315670D+01
      2   0.689819D+01 -0.393416D+00 -0.322737D+00  0.103393D+02 -0.130847D+01
      3   0.344902D+02  0.278289D+02 -0.190170D+01  0.514916D+02 -0.168344D+02
                 6             7             8             9            10 
      1  -0.772762D+00 -0.371269D+01  0.714806D+01  0.450008D+00 -0.881780D+00
      2   0.638199D+00 -0.185388D+02  0.174007D+01  0.145049D+01 -0.114383D+02
      3  -0.373637D+01 -0.553639D+00 -0.343359D+01  0.199215D+01 -0.160926D+02
                11            12            13            14            15 
      1   0.422008D+01  0.383805D+00  0.230684D+01 -0.764637D+00  0.265860D+00
      2   0.459296D+00 -0.389549D+01 -0.111146D+02  0.167347D+01  0.588362D+00
      3   0.332713D+02  0.136054D+01  0.393351D+02 -0.229562D+02 -0.342456D+01
                16            17            18            19            20 
      1  -0.297428D+01  0.820230D+01  0.343187D+00 -0.362156D+01 -0.799432D+00
      2  -0.193018D+02  0.979538D+00  0.153514D+01 -0.128782D+02  0.226510D+01
      3   0.243299D+01 -0.362798D+01 -0.124951D+01 -0.445728D+02 -0.205636D+02
                21            22            23            24            25 
      1   0.827776D+00 -0.478526D+00 -0.130148D+01 -0.266902D+01 -0.589212D+01
      2  -0.217918D+00  0.596161D+01 -0.107220D+01  0.188996D+01 -0.177479D+02
      3   0.256292D+01  0.152102D+02 -0.224484D+01 -0.404019D+00  0.283987D+01
                26            27            28            29            30 
      1  -0.180074D+00 -0.166201D+01 -0.142358D+00  0.106265D+01 -0.112313D+00
      2   0.758448D+01  0.153307D+01  0.148168D+02 -0.118804D+01  0.119712D+01
      3   0.221049D+01 -0.362899D+01  0.180205D+02  0.499007D+01 -0.964569D+00
                31            32            33            34            35 
      1   0.465731D+01  0.260288D+01  0.197405D+01 -0.235869D+01  0.135459D+02
      2  -0.472079D+00  0.113527D+00 -0.155240D+01 -0.126461D+02  0.157622D+01
      3   0.210147D+02  0.571363D+00  0.298685D+00  0.117522D+01 -0.160557D+01
                36            37            38            39            40 
      1   0.116467D+01 -0.452293D+00 -0.200377D+01  0.317742D+01 -0.134408D+01
      2   0.163500D+01  0.824904D+00 -0.275839D+00  0.139802D+01 -0.375644D+01
      3   0.394345D+01 -0.220595D+02 -0.143834D+01  0.493900D+00 -0.552574D+01
                41            42            43            44            45 
      1  -0.212171D+01 -0.797183D+00  0.147959D+02  0.645426D+01 -0.975331D+00
      2   0.908058D+00 -0.121556D+01 -0.108058D+02 -0.623631D+01  0.145251D+01
      3  -0.663668D+01 -0.102945D+01 -0.856004D+00 -0.122772D+01 -0.510642D+01
                46            47            48            49            50 
      1   0.172579D+01 -0.906095D+00 -0.341998D+01 -0.109572D+01  0.192340D+01
      2  -0.360781D+01  0.219427D+00  0.114348D+01  0.341089D-01  0.547625D-01
      3   0.401179D+02 -0.288358D+02 -0.239614D+01 -0.972492D+01  0.210440D+02
                51            52            53            54            55 
      1  -0.233603D+01 -0.868641D+01 -0.270264D+01  0.259951D+01  0.178592D+01
      2  -0.652582D+00 -0.178068D+02 -0.147940D+00  0.744030D+00 -0.212135D+00
      3   0.145649D+01 -0.305710D+01  0.260565D+01  0.580015D+01  0.272133D+02
                56            57            58            59            60 
      1  -0.349045D+01 -0.426698D+01  0.145180D+00  0.195934D+01 -0.244615D+01
      2  -0.110403D+01 -0.355926D+01  0.349465D+00 -0.417687D+00 -0.350432D+01
      3  -0.148321D+02 -0.822364D+00 -0.279742D+00  0.207491D+02  0.150625D+00
                61            62            63            64            65 
      1  -0.801178D+01 -0.406347D+01  0.111743D+01 -0.510818D+00  0.578300D-01
      2  -0.224346D+02 -0.623459D+01  0.175445D+01  0.774968D-01  0.400058D+00
      3  -0.984149D+00  0.152382D+01  0.129978D+02  0.114095D+00  0.682169D+00
                66            67            68            69            70 
      1  -0.113302D+01 -0.501483D+00 -0.161233D+01 -0.395692D+01  0.777574D-01
      2   0.334183D+00  0.619884D+00  0.534908D+00  0.141666D+01 -0.157257D+01
      3   0.143222D+00  0.502942D+01 -0.477880D+01 -0.426209D-01  0.515548D-01
                71            72            73            74            75 
      1   0.208492D+01  0.272652D+00 -0.430734D+00 -0.599506D+00  0.253553D+01
      2  -0.903728D+00 -0.571280D-01  0.200449D+01 -0.881256D+00  0.163543D+01
      3  -0.297043D+00  0.646147D+00 -0.870019D+01 -0.163430D+00  0.670786D+00
                76            77            78            79            80 
      1  -0.887997D+00  0.137030D+01 -0.281074D+01 -0.201650D+01  0.143308D+01
      2  -0.120381D+01  0.106553D+01 -0.236338D+01 -0.256541D+01  0.856049D-01
      3   0.202610D+01  0.247234D+01 -0.472527D-01  0.156571D+01  0.931437D-01
                81            82            83            84            85 
      1   0.126817D+00  0.780026D+00  0.882035D+00 -0.125136D+01  0.371672D+00
      2  -0.196860D-01 -0.259731D+00 -0.360811D+00  0.662170D+00 -0.232806D+00
      3   0.765835D+00  0.496843D+01  0.229322D+01 -0.259149D+00  0.534923D+01
                86            87            88            89            90 
      1   0.269881D+01 -0.443190D+01  0.132160D+01  0.199140D+01 -0.112312D+00
      2  -0.463022D+00  0.103766D+01 -0.401045D+00  0.776871D+00  0.155850D-01
      3   0.355867D+01  0.807630D-01 -0.556895D+00 -0.245722D+00 -0.115396D+01
                91            92            93            94            95 
      1  -0.220691D+01  0.699717D+00  0.786797D+00  0.219301D+01  0.189807D+01
      2  -0.104699D+02  0.857678D+00 -0.732771D+01 -0.781402D+00 -0.710444D+00
      3  -0.107775D+02 -0.365477D+01  0.807558D-01  0.101137D+02  0.217272D+02
                96            97            98            99           100 
      1  -0.255924D+01  0.291479D+01  0.348305D+01 -0.903819D+00  0.404787D+01
      2   0.306364D+01 -0.343556D+02  0.436269D+01 -0.301188D+01 -0.119017D+02
      3  -0.102252D+01  0.626737D+00  0.725825D+00 -0.841687D+01  0.138150D+02
               101           102           103           104           105 
      1  -0.224418D+01  0.658813D+00  0.162589D+00 -0.103892D+02 -0.632427D+01
      2  -0.426414D+01  0.202322D+02 -0.289170D+01  0.581429D+01 -0.102332D+02
      3  -0.549184D+01 -0.567478D+00 -0.592861D+00 -0.222327D+02 -0.557782D+01
               106           107           108           109           110 
      1  -0.116410D+01 -0.789636D+00  0.663456D+01  0.534553D+01 -0.202213D+01
      2   0.150329D+02 -0.854147D+01  0.718609D+01  0.145497D+02 -0.179149D+01
      3  -0.333637D+01 -0.441402D+01  0.102199D+02  0.754587D+00  0.132943D+02
               111           112           113           114           115 
      1  -0.762523D+01 -0.106087D+02  0.272674D+01 -0.133488D+02 -0.700454D+01
      2   0.278228D+01  0.912623D-01  0.171709D+01  0.692623D+01  0.106985D+02
      3   0.200442D+01  0.178082D+02 -0.148914D+02  0.129830D+01  0.530907D+01
               116           117           118           119           120 
      1  -0.405270D+01 -0.250411D+01 -0.643527D+00 -0.603853D+00 -0.323635D+00
      2   0.164657D+01  0.911689D+00 -0.269669D+00  0.348649D+00  0.332451D+01
      3   0.838879D-01  0.444475D+01 -0.728274D+01 -0.260788D+01  0.224315D+00
               121           122           123           124           125 
      1  -0.850925D+00 -0.346906D+01 -0.253802D+01 -0.243439D+00  0.325803D+00
      2   0.125266D+01  0.453262D+00  0.459896D+01  0.223662D+01  0.239007D+01
      3  -0.131161D+01 -0.230515D+02  0.863848D+00  0.828103D+00 -0.148429D+00
               126           127           128           129           130 
      1   0.768166D-01 -0.214792D+01 -0.321195D+01 -0.441160D-01 -0.279202D+01
      2  -0.292220D+00  0.117766D+02  0.173153D+01  0.667227D+01  0.155046D+01
      3  -0.195630D+01 -0.512814D+01 -0.773946D+01  0.676596D+00 -0.509018D+01
               131           132           133           134           135 
      1  -0.110279D+00 -0.147447D+00  0.627830D+00  0.801732D+00 -0.817911D+00
      2   0.469162D+00  0.268490D+01  0.177192D+01  0.961610D+00  0.591359D+00
      3  -0.456053D+00  0.175112D+01  0.457259D+00  0.152335D+01 -0.158184D+01
               136           137           138           139           140 
      1  -0.169234D+01  0.274411D+01 -0.906312D+00  0.108564D+01 -0.204549D+01
      2  -0.673270D+01  0.331374D+01 -0.126912D+02  0.239044D+01 -0.615409D+01
      3  -0.277943D+01  0.243772D+01 -0.189475D+01  0.205469D+01 -0.249456D+01
               141           142           143           144           145 
      1   0.192606D+01 -0.593431D-01  0.460051D+01 -0.329693D+01  0.236273D+01
      2   0.103315D+02 -0.616377D+01  0.653918D+01 -0.268634D+02 -0.149646D+00
      3   0.547551D+01  0.112180D+00  0.431381D+01 -0.602731D+01  0.432695D+01
               146           147           148           149           150 
      1   0.321152D+00 -0.378562D+00 -0.286128D+00  0.136781D+02  0.337986D+00
      2  -0.122879D+01 -0.164935D+01 -0.100429D+01 -0.549796D+01 -0.644294D+01
      3   0.516984D+00 -0.394953D+00  0.119147D+01  0.259629D+02  0.603685D+01
               151           152           153           154           155 
      1  -0.492344D+00  0.225979D+01  0.123853D+01 -0.441670D+01  0.274187D+01
      2  -0.118803D+01 -0.240452D+01 -0.284436D+01 -0.881125D+01  0.138470D+01
      3  -0.161539D+01  0.252914D+01  0.318867D+01  0.121704D+02 -0.224616D+02
               156           157           158           159           160 
      1   0.404098D+01  0.755851D+01 -0.371768D+01 -0.823764D+00  0.184531D+01
      2   0.216912D+02 -0.252215D+01 -0.203340D+01 -0.930005D+01  0.705710D+01
      3   0.834426D-01 -0.178159D+02  0.182956D+02 -0.139868D+01  0.200517D+00
               161           162           163           164           165 
      1   0.294411D+01 -0.708168D+00 -0.688034D+01  0.219421D+01  0.631097D+00
      2  -0.354413D+01 -0.255354D+01 -0.100967D+02  0.410731D+01  0.128015D+01
      3  -0.111921D+01  0.325301D+01  0.961157D+01 -0.424166D+01  0.439129D+00
               166           167           168           169           170 
      1   0.562955D+01 -0.170083D+00  0.416151D+01 -0.138299D+01  0.844726D+01
      2   0.565475D+01  0.494765D+01 -0.278087D+01 -0.694540D+01  0.101455D+01
      3  -0.227823D+01  0.414703D-01 -0.710432D+01 -0.113308D+01 -0.250376D+01
               171           172           173           174           175 
      1  -0.784650D+00  0.717230D+01 -0.243957D+01  0.163724D+01 -0.611236D+01
      2   0.253284D+02  0.206592D+02 -0.357118D+01 -0.607127D+01 -0.540049D+01
      3  -0.143487D+01 -0.825953D+01  0.245930D+01 -0.100688D+01  0.654926D+01
               176           177           178           179           180 
      1   0.626174D+00 -0.238503D+01  0.186912D+01 -0.706959D+00  0.870326D+00
      2   0.318172D+01  0.254409D+01 -0.917886D+00  0.360348D+00  0.287415D+01
      3  -0.107701D+01 -0.710966D+00 -0.359703D+01  0.382677D+00 -0.151529D+01
               181           182           183           184           185 
      1  -0.803847D-01  0.172315D+01  0.437263D+01 -0.787828D+00 -0.107344D+01
      2  -0.143033D+01 -0.249688D+00  0.605237D+01  0.119457D+01  0.122611D+01
      3  -0.217206D+02 -0.101966D+02  0.103687D+01 -0.333069D+01 -0.260150D+02
               186           187           188           189           190 
      1  -0.139513D+01  0.164527D+02  0.694675D+01 -0.227134D+01 -0.154817D+01
      2  -0.157502D+01  0.240348D+01 -0.110502D+02 -0.206235D+01 -0.770239D+01
      3  -0.424565D+00  0.153669D+00 -0.572799D+00 -0.254889D+01 -0.230167D+02
               191           192           193           194           195 
      1   0.410451D+01  0.111493D+01  0.407265D+01 -0.126093D+01  0.300554D+01
      2  -0.301738D+00  0.169249D+00  0.241270D+01 -0.126578D+01 -0.105550D+01
      3   0.180873D+02  0.213640D+01  0.480208D+02  0.226043D+02 -0.337849D+01
               196           197           198           199           200 
      1  -0.244512D+01  0.132801D+02  0.481003D+00  0.986936D-01 -0.318739D+01
      2   0.216100D+01 -0.206311D+01 -0.163534D+01  0.845140D+01  0.211728D+00
      3   0.325311D+01 -0.226689D+01  0.517664D+00  0.527516D+01 -0.220255D+02
               201           202           203           204           205 
      1  -0.299086D+00 -0.985684D+00  0.102750D+01 -0.259442D+01 -0.163403D+01
      2   0.264367D+01 -0.283195D+01 -0.343696D+00  0.442650D+01 -0.214677D+02
      3  -0.135165D+01 -0.148192D+02 -0.140634D+01  0.167927D+01 -0.200790D+01
               206           207           208           209           210 
      1   0.260487D+01  0.399294D+00  0.136343D+01 -0.354659D+01 -0.108051D+01
      2   0.137910D+02  0.204423D+01  0.141349D+01  0.491325D+00  0.103590D+02
      3   0.214030D+01 -0.758676D+01  0.194914D+02 -0.366355D+02 -0.205188D+01
               211           212           213           214           215 
      1  -0.138210D+00  0.153096D+00 -0.640005D+01  0.343817D+01  0.123929D+00
      2   0.102735D+01 -0.464130D+00  0.661811D+01 -0.368644D+01 -0.451666D+01
      3   0.183480D+01  0.492632D+01  0.430611D+00 -0.185686D+01  0.312733D+01
               216           217           218           219           220 
      1  -0.298869D+00 -0.180901D+01  0.539016D+00 -0.306410D+01  0.299891D+00
      2  -0.665123D+00  0.209942D+01 -0.213393D+01  0.114174D+02 -0.334232D+01
      3   0.171334D+01 -0.311688D+02 -0.131769D+02  0.517500D+01 -0.490351D+01
               221           222           223           224           225 
      1   0.100225D+01  0.900585D+01  0.892940D+01  0.107942D+02  0.157310D+01
      2   0.854737D+00 -0.303932D+02 -0.239864D+01 -0.213115D+02 -0.245945D+01
      3   0.143615D+02 -0.124655D+01  0.426567D+01 -0.571713D+00  0.278262D+02
               226           227           228           229           230 
      1   0.276146D+00  0.257767D+00 -0.137686D+01 -0.117489D+00 -0.250264D+00
      2   0.457680D-01  0.127745D+00  0.138959D+00 -0.124230D+00 -0.366893D+00
      3   0.694445D+01  0.634598D+01 -0.402103D+00  0.547247D+01  0.218747D+02
               231           232           233           234           235 
      1  -0.485778D+01  0.102781D+01  0.204794D+01 -0.156942D+00 -0.958259D+00
      2  -0.632612D+00  0.430475D+00  0.152156D+00 -0.107252D+00 -0.148360D+01
      3   0.332525D+00 -0.636399D+00 -0.220502D+00 -0.738152D+00 -0.422039D+00
               236           237           238           239           240 
      1   0.278081D+00  0.260826D+01  0.300572D+00 -0.115193D+00 -0.310621D+01
      2   0.945235D+00  0.381207D+01  0.995494D+00 -0.124240D+01 -0.416394D+01
      3  -0.630686D+01 -0.772983D-01 -0.635644D+01  0.122134D+02  0.874536D+00
               241           242           243           244           245 
      1  -0.248077D+01  0.794547D+00  0.362610D-01  0.350453D+00  0.344817D+00
      2  -0.275016D+01 -0.127470D+01 -0.158807D+00 -0.405569D+00 -0.608604D+00
      3   0.234274D+00  0.705391D+00  0.175361D+01 -0.104557D+01 -0.107197D+01
               246           247           248           249           250 
      1  -0.587202D+00  0.466647D+00  0.199915D+00 -0.303989D+01 -0.271866D+00
      2   0.300008D+00 -0.537289D+00 -0.320498D+00  0.200230D+01 -0.112335D+01
      3   0.177590D+00 -0.196075D+00 -0.159598D+02 -0.138001D+00  0.180560D+00
               251           252           253           254           255 
      1   0.152929D+01  0.718810D-01 -0.788844D+00  0.125914D+00  0.194437D+01
      2  -0.138193D+01  0.483816D-01  0.538757D+01  0.289664D+00 -0.419180D+01
      3  -0.433517D+00  0.708571D+00 -0.334049D+00  0.484330D+01  0.173342D+01
               256           257           258           259           260 
      1  -0.105219D+01 -0.272291D+01 -0.508923D+01 -0.321550D+01 -0.258804D+01
      2   0.481961D+01  0.967801D+01  0.127406D+02  0.530643D+01  0.136906D+02
      3  -0.438814D+01 -0.174339D+02 -0.110823D+02 -0.589528D+01 -0.154099D+02
               261           262           263           264           265 
      1  -0.914038D+01  0.101130D+01 -0.463675D+00 -0.162615D+01 -0.251289D+00
      2   0.252506D+02 -0.230547D+01 -0.108180D+00  0.907017D+01  0.249623D+00
      3  -0.169005D+02  0.108806D+02 -0.849308D+01 -0.923365D+00 -0.509219D+01
               266           267           268           269           270 
      1   0.222882D+00 -0.872653D+00 -0.193792D+01 -0.272995D+00  0.225038D+00
      2  -0.355476D+00  0.583143D+00  0.669906D+01  0.234856D+01 -0.161871D+01
      3   0.287935D+01  0.617247D+00 -0.941233D+00  0.908909D+00 -0.178838D+01
               271           272           273           274           275 
      1   0.457057D+00  0.141373D+00  0.278522D+01  0.299097D+00  0.113827D+01
      2  -0.533560D+01  0.236161D+01 -0.705872D+01 -0.272777D+01 -0.106761D+02
      3  -0.251255D+00  0.774562D+01 -0.504118D+01 -0.275704D+01 -0.193927D+02
               276           277           278           279 
      1  -0.430474D+01 -0.189930D+01 -0.134654D+01  0.700785D+01
      2   0.137748D+02  0.298120D+01  0.141901D+02 -0.235199D+02
      3   0.129360D+02  0.334084D+01  0.152246D+02 -0.181371D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.688110D+02  0.267877D+02  0.463381D+01 -0.873944D+02 -0.169184D+01
      2   0.326671D+02 -0.177895D+02 -0.278644D+01  0.343750D+02  0.133768D+02
      3   0.361439D+02 -0.899817D+01 -0.184737D+01  0.530194D+02 -0.116850D+02
      4  -0.332210D+01  0.193968D+02  0.890464D+00  0.123760D+02 -0.244420D+02
      5   0.501505D+00 -0.138823D+01 -0.200062D+01 -0.390779D+01  0.171076D+01
      6   0.529212D+00 -0.171202D+01  0.414715D+00  0.217336D+01 -0.146986D+01
                 6             7             8             9            10 
      1   0.702969D+01  0.435298D+01 -0.168904D+01 -0.102629D+02  0.691927D+02
      2  -0.237479D+01 -0.248139D+01  0.189370D+01 -0.121447D+01 -0.175336D+02
      3  -0.465489D+01 -0.187159D+01 -0.204652D+00  0.114774D+02 -0.516591D+02
      4  -0.147755D+01  0.183117D+00 -0.173362D+01 -0.212768D+01  0.343200D+02
      5   0.296844D+01  0.812621D+00 -0.754069D+00  0.155783D+01  0.354319D+00
      6  -0.208826D-01  0.293822D+01  0.402260D+01 -0.100159D+01 -0.317059D+01
                11            12            13            14            15 
      1   0.207523D+02 -0.607036D+01  0.958624D+02 -0.236080D+02 -0.771718D+01
      2  -0.171259D+02  0.791991D+00 -0.365722D+02  0.147928D+02  0.322858D+01
      3  -0.362638D+01  0.527837D+01 -0.592902D+02  0.881517D+01  0.448859D+01
      4   0.152172D+02 -0.151999D+01 -0.286601D+02  0.188410D+02  0.220085D+01
      5  -0.141726D+01 -0.979019D+01  0.254396D+01 -0.406657D+00 -0.850180D+00
      6   0.138630D+00  0.105453D+00 -0.454024D+00  0.194684D+01 -0.107115D+01
                16            17            18            19            20 
      1  -0.424533D+01 -0.194779D+01 -0.496151D+01  0.439051D+02 -0.316808D+02
      2  -0.189664D+00  0.136804D+01 -0.362219D+01 -0.142806D+02  0.194571D+02
      3   0.443499D+01  0.579754D+00  0.858370D+01 -0.296245D+02  0.122236D+02
      4  -0.305539D+01 -0.677130D+00  0.377504D+01 -0.761721D+01 -0.243409D+02
      5   0.233729D+01  0.180821D+01  0.217908D+01  0.204495D+01  0.153540D+01
      6   0.186086D+01  0.253370D+01  0.512909D-01 -0.103966D+01  0.533490D+01
                21            22            23            24            25 
      1  -0.693747D+01  0.124076D+02  0.181686D+02  0.261477D+01 -0.449744D+01
      2   0.332369D+01 -0.238687D+02 -0.233069D+02 -0.309026D-01  0.617877D+00
      3   0.361378D+01  0.114612D+02  0.513835D+01 -0.258387D+01  0.387956D+01
      4   0.342417D+00  0.103522D+02 -0.329892D+00 -0.294053D+00  0.255001D+01
      5  -0.287789D+01 -0.154764D+01  0.114545D+00  0.714504D+01  0.987365D+01
      6  -0.390160D+00  0.438240D+00 -0.228806D+01  0.553714D+01  0.293534D+01
                26            27            28            29            30 
      1   0.774991D+01 -0.129365D+02  0.137164D+02 -0.571657D+01  0.300967D+01
      2  -0.281444D+01  0.130230D+01 -0.317171D+02  0.491976D+01 -0.449975D+00
      3  -0.493547D+01  0.116342D+02  0.180007D+02  0.796813D+00 -0.255970D+01
      4   0.201470D+01  0.681634D+01  0.392746D+00  0.135848D+02  0.533194D+00
      5   0.901068D+01  0.297439D+01 -0.802065D+01  0.229244D+01  0.888956D+01
      6   0.141377D+02 -0.230551D+01  0.139175D+01 -0.244878D+01  0.217797D+01
                31            32            33            34            35 
      1   0.406467D+02 -0.476967D+02 -0.209865D+01  0.644758D+01 -0.223693D+01
      2  -0.294348D+02  0.414822D+02  0.214743D+01 -0.674190D+00  0.107167D+01
      3  -0.112119D+02  0.621457D+01 -0.487805D-01 -0.577339D+01  0.116526D+01
      4  -0.321979D+02 -0.173335D+02  0.632405D+00 -0.248523D+01 -0.493630D+00
      5  -0.231891D+01  0.193362D+01 -0.246002D+01  0.308086D+02 -0.400424D+01
      6   0.144299D+01  0.552542D+01 -0.354990D+01  0.424619D+01  0.289949D+01
                36            37            38            39            40 
      1   0.561501D+00 -0.211442D+02  0.524463D+02  0.404412D+01 -0.392835D+02
      2  -0.120321D+02  0.124878D+02 -0.368114D+02 -0.146459D+01  0.401083D+02
      3   0.114706D+02  0.865641D+01 -0.156349D+02 -0.257954D+01 -0.824819D+00
      4  -0.255578D+00  0.259539D+02  0.522401D+01 -0.263148D+01  0.186330D+02
      5  -0.212898D+01  0.358739D+00 -0.470875D+01  0.320591D+01  0.289429D+01
      6  -0.747656D+00 -0.383609D+01 -0.428929D+01 -0.644939D+01 -0.139629D+01
                41            42            43            44            45 
      1   0.271692D+02  0.139972D+01  0.308631D+01 -0.632110D+01 -0.116834D+02
      2  -0.259954D+02 -0.267945D+01  0.268722D+01  0.174919D+01 -0.100777D+01
      3  -0.117378D+01  0.127973D+01 -0.577352D+01  0.457191D+01  0.126912D+02
      4   0.244100D+02  0.183839D+00 -0.382257D+01  0.114751D+01 -0.705850D+01
      5  -0.129736D+01 -0.675140D+01  0.141764D+02 -0.693325D+01 -0.231929D+01
      6  -0.417361D+01  0.214682D+01 -0.179918D+02  0.888136D+01  0.477308D+01
                46            47            48            49            50 
      1   0.298913D+02 -0.440352D+02 -0.603135D+01  0.804749D+01  0.902434D+01
      2  -0.228611D+02  0.301310D+02  0.257592D+01 -0.680506D+01 -0.172755D+02
      3  -0.703021D+01  0.139042D+02  0.345542D+01 -0.124243D+01  0.825114D+01
      4  -0.312944D+02 -0.144160D+02  0.213547D+01  0.181025D+02 -0.797511D+01
      5   0.292826D+01  0.251112D+01  0.918074D+00  0.419346D+00 -0.794816D+00
      6   0.255924D+01  0.623475D+01  0.529970D+01 -0.155657D+01 -0.236348D+00
                51            52            53            54            55 
      1  -0.286784D+00 -0.449174D+01  0.329500D+01 -0.196633D+02 -0.201131D+02
      2  -0.818528D+00  0.250398D+01 -0.510163D+01  0.848054D+01  0.236335D+01
      3   0.110531D+01  0.198776D+01  0.180664D+01  0.111828D+02  0.177497D+02
      4  -0.131222D+01  0.350505D+01  0.313633D+01  0.249121D+01  0.169541D+02
      5   0.176893D+00  0.399684D+01  0.731202D+00  0.251005D+01 -0.327873D+01
      6   0.610307D+01  0.483242D+01  0.199057D+02  0.983338D+00  0.967151D+00
                56            57            58            59            60 
      1  -0.358595D+02 -0.191452D+01  0.643833D-01  0.165962D+02  0.696306D+00
      2   0.330534D+02  0.154948D+01 -0.329023D+01 -0.209776D+02 -0.455555D+00
      3   0.280615D+01  0.365045D+00  0.322584D+01  0.438138D+01 -0.240751D+00
      4  -0.577156D+02 -0.262570D+01  0.138620D+02 -0.787818D+01 -0.135961D+00
      5   0.134067D+01 -0.592527D+01  0.960224D+00 -0.317813D+00 -0.495627D+01
      6   0.316010D+01  0.707140D+01 -0.603596D+00 -0.650974D+00  0.688399D+01
                61            62            63            64            65 
      1  -0.646520D+00  0.297080D+01 -0.272963D+02 -0.142249D+01 -0.369594D+01
      2   0.114047D+01 -0.352658D+01  0.148613D+02  0.534293D+01  0.611191D+01
      3  -0.493953D+00  0.555783D+00  0.124350D+02 -0.392044D+01 -0.241598D+01
      4  -0.159503D+01  0.736724D+01 -0.990871D+01  0.792377D+01  0.112678D+02
      5  -0.228028D+01 -0.149490D+02  0.290492D+01 -0.695418D+00 -0.670255D+00
      6   0.477267D+01  0.245909D+02 -0.144123D+01 -0.117481D+01 -0.141495D+01
                66            67            68            69            70 
      1   0.139522D+00 -0.760623D+01 -0.295033D+02  0.114669D+01 -0.655857D+00
      2  -0.860008D-01  0.119066D+02  0.391610D+02 -0.746850D+00  0.364531D+00
      3  -0.535212D-01 -0.430040D+01 -0.965775D+01 -0.399841D+00  0.291325D+00
      4  -0.414522D+00  0.126805D+02  0.214460D+02 -0.489027D+00 -0.321873D+00
      5   0.137514D+01 -0.641220D+00  0.246355D+00  0.225381D+01 -0.521803D-01
      6   0.139812D+01 -0.165667D+01 -0.467084D+01  0.605058D+01  0.153549D+01
                71            72            73            74            75 
      1  -0.189338D+00 -0.244587D+01  0.683853D+01  0.187827D+01  0.196592D+00
      2   0.844445D-01  0.308787D+01  0.120053D+01 -0.781290D+01  0.447262D-02
      3   0.104893D+00 -0.641992D+00 -0.803906D+01  0.593462D+01 -0.201065D+00
      4  -0.494305D+00  0.781513D+00 -0.208164D+02  0.172890D+02  0.151859D+01
      5  -0.211641D-01 -0.298085D+00 -0.443950D+01  0.190012D+01  0.410995D+01
      6   0.211662D+01 -0.303904D+00  0.272111D+01 -0.251616D+01 -0.256151D+01
                76            77            78            79            80 
      1   0.442086D+01 -0.122866D+02 -0.142956D+01 -0.966273D+00 -0.420634D+00
      2  -0.125423D+02  0.214530D+02  0.103289D+01 -0.119781D+00  0.671536D+00
      3   0.812141D+01 -0.916640D+01  0.396661D+00  0.108605D+01 -0.250902D+00
      4   0.230168D+02 -0.248315D+02 -0.211062D+01  0.149562D+01 -0.122396D+01
      5   0.313667D+01 -0.243466D+01 -0.381901D+01 -0.613590D-01 -0.127322D+01
      6  -0.380323D+01  0.470272D+01  0.501839D+01  0.107976D+01  0.205262D+01
                81            82            83            84            85 
      1   0.966939D-01 -0.370378D+01 -0.730415D+01  0.295760D+00 -0.547124D+01
      2   0.866244D+00  0.627748D+01  0.106427D+02 -0.263206D+00  0.720721D+01
      3  -0.962938D+00 -0.257370D+01 -0.333857D+01 -0.325546D-01 -0.173596D+01
      4  -0.219559D+01  0.455680D+01  0.116977D+02  0.213280D+00  0.759730D+01
      5  -0.190956D+00  0.828965D+00  0.116922D+01  0.185355D+01  0.757130D+00
      6   0.314113D+00  0.602152D+00  0.354955D+00  0.169677D+01  0.796994D+00
                86            87            88            89            90 
      1  -0.447915D+02 -0.892742D+00  0.726701D+00 -0.372928D-01 -0.171068D+01
      2   0.592909D+02  0.485697D+00 -0.523086D+00 -0.605367D-02  0.208870D+01
      3  -0.144994D+02  0.407045D+00 -0.203615D+00  0.433464D-01 -0.378022D+00
      4   0.143561D+02  0.350501D+00 -0.176628D+00 -0.696281D+00  0.181892D+01
      5   0.278688D+01  0.125727D+01  0.848523D+00  0.141222D+01 -0.827373D-01
      6   0.444004D+01  0.715993D+01 -0.376316D+00  0.302090D+01  0.150397D+00
                91            92            93            94            95 
      1  -0.100673D+02  0.691597D+01 -0.932639D+01  0.891532D+01  0.100039D+02
      2   0.178411D+02 -0.746826D+01 -0.914310D+00 -0.120971D+02 -0.174741D+02
      3  -0.777385D+01  0.552298D+00  0.102407D+02  0.318176D+01  0.747020D+01
      4   0.772951D+01 -0.218480D+01 -0.741927D+00 -0.371442D+01 -0.398644D+02
      5  -0.206617D+00 -0.217631D+01 -0.228635D+02 -0.122989D+02  0.194225D+00
      6  -0.209075D+01  0.212595D+01  0.534776D+00 -0.603370D-01  0.561559D+01
                96            97            98            99           100 
      1  -0.579073D+01 -0.420596D+01 -0.579767D+00 -0.249871D+02 -0.654497D+02
      2   0.829979D+01 -0.510092D+01  0.622860D+00  0.199766D+02  0.350389D+02
      3  -0.250905D+01  0.930688D+01 -0.430935D-01  0.501049D+01  0.304108D+02
      4  -0.297087D-01 -0.301641D+01 -0.163020D+01  0.768597D+01 -0.230529D+02
      5   0.688970D+01 -0.580381D+02  0.914495D+01  0.549446D+01  0.322581D+02
      6   0.133386D+01  0.142392D+01  0.825668D+00 -0.323337D+01  0.104518D+02
               101           102           103           104           105 
      1  -0.176477D+02  0.287196D+02 -0.280689D+02  0.108496D+02 -0.568593D+01
      2   0.704767D+01 -0.165125D+01  0.199030D+02 -0.719762D+01 -0.978354D+01
      3   0.106001D+02 -0.270683D+02  0.816595D+01 -0.365201D+01  0.154695D+02
      4   0.526515D+01 -0.144771D+00  0.257987D+01  0.363691D+02  0.965477D+01
      5   0.402865D+01  0.181059D+02  0.145353D+02  0.620044D+01 -0.163169D+02
      6  -0.332362D+01  0.210329D+01 -0.158558D+01 -0.176312D+02 -0.601004D+01
               106           107           108           109           110 
      1   0.232481D+01 -0.709441D+01  0.332176D+02 -0.939500D+02  0.188241D+02
      2   0.159005D+02 -0.495266D+01 -0.146870D+02  0.399000D+02 -0.244983D+01
      3  -0.182253D+02  0.120471D+02 -0.185306D+02  0.540500D+02 -0.163742D+02
      4   0.188309D+01  0.641907D+01 -0.148221D+02  0.312785D+02 -0.213761D+02
      5   0.407643D+02 -0.135984D+02 -0.173573D+02 -0.124689D+02  0.674913D+01
      6  -0.167162D+01 -0.341391D+01  0.132431D+02  0.578417D+01 -0.117268D+01
               111           112           113           114           115 
      1  -0.553723D+01  0.311231D+02 -0.139786D+02  0.292951D+01  0.238782D+02
      2   0.209037D+01 -0.824917D+01  0.961270D+01 -0.183113D+01 -0.161297D+02
      3   0.344686D+01 -0.228740D+02  0.436588D+01 -0.109838D+01 -0.774848D+01
      4   0.395176D+01 -0.551620D+01  0.215552D+02  0.108355D+01 -0.553188D+00
      5  -0.451105D+01  0.114119D+02 -0.914581D+00  0.321138D+01  0.246044D+02
      6   0.343049D+01 -0.195436D+01  0.302948D+01  0.866965D+00 -0.357927D+01
               116           117           118           119           120 
      1   0.128901D+01  0.255900D+02 -0.408565D+01  0.658281D+01  0.155255D+01
      2   0.506916D+00 -0.502581D+01  0.734001D+01 -0.160333D+01 -0.624286D+00
      3  -0.179593D+01 -0.205642D+02 -0.325436D+01 -0.497949D+01 -0.928264D+00
      4   0.306869D+01 -0.531618D+01  0.118324D+02  0.102466D+02 -0.966342D+00
      5  -0.551467D+01  0.584060D+01  0.561734D+00 -0.135065D+01  0.733957D+01
      6  -0.375813D+01 -0.277669D+01 -0.133164D+01 -0.931681D+00  0.177575D+00
               121           122           123           124           125 
      1   0.107690D+02 -0.126530D+02  0.290080D+01  0.267724D+01 -0.215742D+00
      2  -0.719125D+00  0.264872D+02 -0.158818D+01 -0.141585D+01  0.170417D+01
      3  -0.100499D+02 -0.138342D+02 -0.131262D+01 -0.126139D+01 -0.148842D+01
      4   0.178287D+02  0.478190D+02 -0.215129D+01 -0.124317D+00  0.292713D+00
      5  -0.462705D+00 -0.202192D+01  0.104503D+02  0.928886D+01  0.526838D+01
      6  -0.158875D+01 -0.634313D+01  0.457929D+01  0.152937D+01  0.527408D+01
               126           127           128           129           130 
      1   0.103694D+01  0.108060D+03  0.109394D+02 -0.190854D+02  0.195211D+02
      2  -0.247281D+00 -0.638216D+02 -0.521702D+01  0.167700D+02 -0.107359D+02
      3  -0.789656D+00 -0.442379D+02 -0.572237D+01  0.231538D+01 -0.878515D+01
      4   0.568252D+01  0.168256D+02  0.142222D+02 -0.297085D+01  0.177043D+02
      5  -0.178455D+01 -0.585356D+02 -0.488346D+01  0.275716D+02 -0.123234D+02
      6  -0.713856D+00 -0.694510D+01 -0.546153D+01  0.150114D+01 -0.623587D+01
               131           132           133           134           135 
      1   0.937209D+01 -0.208818D+01 -0.714178D+01  0.560935D+00  0.648752D+01
      2  -0.389815D+01  0.399737D+01  0.723359D+01  0.129513D+01 -0.655225D+01
      3  -0.547394D+01 -0.190919D+01 -0.918123D-01 -0.185607D+01  0.647275D-01
      4   0.350573D+01 -0.479539D+01 -0.902728D+00 -0.186334D+01  0.368427D+01
      5  -0.652782D+01  0.796281D+01  0.150310D+02  0.344124D+01 -0.642907D+01
      6  -0.720749D+00  0.325107D+01  0.143381D+01  0.149115D+01 -0.193937D+01
               136           137           138           139           140 
      1  -0.527511D+01  0.700853D+01 -0.208705D+02  0.814908D+01 -0.983512D+01
      2  -0.749424D+00 -0.158668D+01 -0.174133D+01 -0.505196D+01  0.198925D+01
      3   0.602454D+01 -0.542185D+01  0.226118D+02 -0.309712D+01  0.784587D+01
      4   0.349501D+01 -0.397985D+01  0.286477D+01  0.108791D+01  0.442414D+01
      5  -0.960190D+00  0.205381D+00 -0.111065D+02 -0.595013D+01 -0.735564D+01
      6  -0.317080D+01  0.461458D+01 -0.429177D+01  0.319353D+00 -0.606959D+01
               141           142           143           144           145 
      1   0.119197D+02 -0.937226D+01  0.792461D+01 -0.360657D+02  0.640862D+01
      2   0.364583D+01  0.307778D+01  0.211108D+01 -0.122004D+02 -0.175925D+01
      3  -0.155655D+02  0.629449D+01 -0.100357D+02  0.482661D+02 -0.464937D+01
      4  -0.101588D+02 -0.747396D+00 -0.851837D+01  0.113097D+02 -0.499163D+01
      5   0.157904D+02  0.492858D+01  0.849023D+01 -0.357757D+02 -0.385980D+01
      6   0.111973D+02 -0.826315D-01  0.901122D+01 -0.117862D+02  0.247950D+01
               146           147           148           149           150 
      1  -0.530316D+01 -0.500523D+01 -0.115610D+02 -0.988736D+01 -0.312494D+01
      2   0.291759D+01  0.495931D+00  0.719382D+01  0.132106D+02 -0.250873D+01
      3   0.238557D+01  0.450930D+01  0.436720D+01 -0.332322D+01  0.563367D+01
      4   0.289846D+01  0.778170D+00  0.108106D+02 -0.460853D+02 -0.127595D+02
      5   0.236454D+01 -0.117916D+01  0.120719D+02 -0.118138D+02 -0.155163D+02
      6   0.668468D-01 -0.504566D-02 -0.414092D+01  0.255424D+02  0.108811D+02
               151           152           153           154           155 
      1  -0.608526D+00 -0.204870D+01 -0.651218D+01  0.190427D+03 -0.299845D+02
      2  -0.505623D+00 -0.522627D+00  0.113938D+01 -0.891091D+02  0.929271D+01
      3   0.111415D+01  0.257132D+01  0.537280D+01 -0.101318D+03  0.206918D+02
      4   0.181866D+01 -0.558358D+01 -0.561942D+01 -0.415957D+02  0.393440D+02
      5   0.486067D+00 -0.558664D+01 -0.342700D+01  0.317428D+02 -0.633948D+01
      6  -0.146957D+01  0.731548D+01  0.357533D+01 -0.517861D+01  0.454392D+01
               156           157           158           159           160 
      1   0.570753D+01 -0.416508D+02  0.343519D+02 -0.897941D+00  0.642038D+01
      2  -0.781687D+01  0.139991D+02 -0.895386D+01  0.192748D+01 -0.733317D+01
      3   0.210935D+01  0.276518D+02 -0.253980D+02 -0.102954D+01  0.912795D+00
      4  -0.277062D+01  0.528880D+02 -0.376921D+02  0.242051D+01 -0.278900D+01
      5   0.366184D+02 -0.937975D+01  0.728985D+01 -0.123981D+02  0.342530D+02
      6  -0.211751D+01  0.901217D+01 -0.639967D+01  0.564486D+01 -0.395813D+01
               161           162           163           164           165 
      1  -0.666988D+00  0.193352D+02  0.476474D+02 -0.885251D+01  0.150128D+02
      2   0.103633D+01 -0.133193D+02 -0.340125D+02  0.354655D+01 -0.991594D+01
      3  -0.369338D+00 -0.601592D+01 -0.136349D+02  0.530597D+01 -0.509682D+01
      4   0.815468D+00 -0.767235D+01 -0.874314D+01  0.794493D+01  0.132222D+01
      5  -0.854727D+01  0.403760D+01  0.323309D+02 -0.885620D+00  0.186347D+02
      6   0.512795D+01 -0.175873D+01 -0.345480D+01  0.142665D+01  0.781118D+00
               166           167           168           169           170 
      1  -0.162233D+02 -0.599931D+01  0.256607D-01 -0.251423D+01  0.198668D+00
      2   0.887104D+01  0.130036D+01  0.772785D+00 -0.222118D+01 -0.721872D+00
      3   0.735222D+01  0.469896D+01 -0.798446D+00  0.473541D+01  0.523204D+00
      4   0.656173D+01  0.122702D+01  0.108467D+02  0.405266D+01  0.521663D+01
      5  -0.721692D+01  0.110573D+02 -0.294204D+01  0.156157D+02  0.366880D+01
      6   0.161676D+01  0.650537D+00  0.115578D+02  0.278413D+01  0.109948D+02
               171           172           173           174           175 
      1  -0.327292D+02 -0.470441D+02  0.761182D+01  0.591766D+01  0.143192D+02
      2  -0.138019D+02  0.298675D+02 -0.372078D+01  0.565856D+01 -0.941379D+01
      3   0.465310D+02  0.171766D+02 -0.389104D+01 -0.115762D+02 -0.490540D+01
      4   0.606917D+01  0.674310D+01 -0.482873D+01 -0.114966D+01 -0.111973D+01
      5   0.450369D+02 -0.253864D+02  0.133485D+01 -0.155984D+02  0.689216D+01
      6   0.400031D+01  0.298762D+01 -0.379763D+01 -0.186542D+01 -0.104682D+01
               176           177           178           179           180 
      1  -0.667645D+01 -0.188097D+01 -0.804242D+01  0.131233D+00 -0.892872D+01
      2   0.400912D+01 -0.119215D+01  0.108467D+02 -0.435869D+00  0.462789D+01
      3   0.266733D+01  0.307311D+01 -0.280424D+01  0.304636D+00  0.430084D+01
      4   0.243766D+01  0.321004D+01  0.191652D+01 -0.903877D-01  0.102369D+01
      5   0.178701D+01  0.523041D+01 -0.993493D+01  0.667390D+00 -0.264995D+01
      6   0.253233D+01  0.358728D+01 -0.110756D+01  0.120920D+01  0.818789D+00
               181           182           183           184           185 
      1   0.290903D+02  0.523001D+02  0.457992D+00 -0.421499D+02  0.204965D+02
      2  -0.138327D+02 -0.435313D+02 -0.344960D+00  0.329264D+02 -0.248018D+02
      3  -0.152576D+02 -0.876882D+01 -0.113032D+00  0.922350D+01  0.430525D+01
      4   0.517080D+01  0.401864D+02 -0.282847D+01  0.195229D+01  0.396596D+02
      5   0.555360D+01 -0.567144D+01  0.109444D+02  0.948030D+00  0.119101D+01
      6  -0.382727D+01  0.186965D+01 -0.765906D+01  0.114402D+01 -0.169275D+01
               186           187           188           189           190 
      1   0.250027D+01  0.138173D+01 -0.633270D+01  0.611545D+01  0.123723D+03
      2  -0.242142D+01  0.106475D+01  0.341107D+01 -0.830459D+01 -0.612728D+02
      3  -0.788510D-01 -0.244648D+01  0.292163D+01  0.218914D+01 -0.624499D+02
      4   0.147055D+01 -0.513162D+01 -0.422459D+00 -0.242634D+02  0.108496D+02
      5  -0.623510D+01  0.358870D+02 -0.191382D+02 -0.334891D+01  0.184429D+01
      6   0.288235D+01 -0.245154D+02  0.135216D+02  0.347537D+01 -0.182301D+01
               191           192           193           194           195 
      1  -0.108096D+01 -0.726222D+01 -0.329690D+02 -0.435905D+02  0.698801D+00
      2  -0.103282D+02  0.186568D+01  0.336468D+01  0.464517D+02  0.133862D+01
      3   0.114091D+02  0.539653D+01  0.296043D+02 -0.286120D+01 -0.203742D+01
      4   0.200479D+02 -0.519587D+00 -0.422738D+02 -0.663115D+02  0.179069D+01
      5   0.509507D+00  0.217920D+01 -0.168478D+01  0.940550D+00 -0.202224D+01
      6   0.999696D+00 -0.262916D+01  0.299578D+01  0.791042D+00 -0.516910D+01
               196           197           198           199           200 
      1  -0.272701D+01 -0.224649D+01  0.240191D+02 -0.106945D+03 -0.234617D+02
      2   0.145065D+01  0.250765D+01 -0.211157D+02  0.361741D+02  0.250625D+02
      3   0.127636D+01 -0.261162D+00 -0.290343D+01  0.707704D+02 -0.160080D+01
      4  -0.327269D+01 -0.270787D+01 -0.934683D+00 -0.333463D+02 -0.344334D+02
      5   0.486038D+02 -0.592520D+01 -0.389389D+01  0.208625D+01  0.347288D+01
      6  -0.148408D+01  0.291250D+01 -0.296611D+00  0.425421D+01  0.995902D+00
               201           202           203           204           205 
      1   0.637629D+01  0.788617D+02  0.164353D+02 -0.414531D+01  0.970107D+01
      2  -0.230032D+01 -0.462739D+02 -0.239052D+02  0.213038D+01 -0.425623D+01
      3  -0.407597D+01 -0.325879D+02  0.746987D+01  0.201493D+01 -0.544485D+01
      4   0.337992D+01  0.267230D+02  0.218526D+02 -0.176412D+01  0.539250D+01
      5   0.577756D+01 -0.171906D+01 -0.645581D+00  0.996973D+01  0.122563D+01
      6   0.468896D+00 -0.198844D+01 -0.626684D+00  0.621079D+01  0.245774D+01
               206           207           208           209           210 
      1   0.530830D+01 -0.175856D+02  0.281833D+02 -0.608575D+01  0.896110D+00
      2  -0.425402D+01 -0.769384D+00 -0.191632D+02  0.562200D+01  0.135994D+01
      3  -0.105428D+01  0.183550D+02 -0.902009D+01  0.463747D+00 -0.225605D+01
      4   0.339577D+01  0.181825D+02 -0.157897D+02  0.111465D+02  0.591709D+00
      5   0.227736D+02  0.355852D+01 -0.276360D+01 -0.111992D+00  0.206295D+02
      6   0.115095D+02 -0.127593D+00  0.900327D+00 -0.133949D+01  0.288478D+01
               211           212           213           214           215 
      1  -0.195870D+02  0.566286D+01  0.338045D+01 -0.362620D+00 -0.209679D+00
      2   0.113500D+02 -0.331413D+01 -0.162658D+01  0.151372D+01 -0.509600D+00
      3   0.823700D+01 -0.234873D+01 -0.175387D+01 -0.115110D+01  0.719278D+00
      4   0.264656D+02 -0.175582D+02 -0.157786D+01  0.956489D+00 -0.752983D+00
      5   0.272843D+01 -0.451419D+00  0.124983D+02  0.137532D+02 -0.492038D+01
      6  -0.468743D+00  0.326912D+00  0.110126D+02 -0.103799D+01  0.396113D+01
               216           217           218           219           220 
      1   0.502315D+01 -0.888501D+02 -0.260686D+01  0.121197D+02  0.188135D+02
      2  -0.394771D+01  0.500760D+02  0.479079D+01 -0.661883D+01 -0.673380D+01
      3  -0.107544D+01  0.387742D+02 -0.218393D+01 -0.550084D+01 -0.120797D+02
      4  -0.588798D+01  0.101864D+01  0.228191D+02 -0.234213D+01  0.491211D+00
      5  -0.309373D+01  0.109112D+02 -0.279176D+01  0.167233D+02 -0.629086D+01
      6   0.403666D+00  0.736713D+00 -0.226692D+01  0.688637D+01 -0.196568D+01
               221           222           223           224           225 
      1   0.175831D+02 -0.100482D+02  0.103059D+02 -0.545824D+01  0.238652D+02
      2  -0.858249D+01  0.342033D+01 -0.580558D+01  0.176874D+01 -0.180563D+02
      3  -0.900058D+01  0.662791D+01 -0.450027D+01  0.368951D+01 -0.580892D+01
      4   0.351578D+01 -0.615882D-01 -0.367891D+01 -0.183502D+01 -0.357936D+02
      5  -0.518421D-01 -0.583815D+02 -0.436274D+01 -0.388505D+02 -0.705164D+01
      6   0.110999D+01 -0.240830D+02 -0.694917D+01 -0.181536D+02  0.312943D-01
               226           227           228           229           230 
      1  -0.668923D+01 -0.147775D+02  0.472175D+00 -0.521204D+01 -0.548616D+02
      2   0.792371D+01  0.161660D+02 -0.264082D+00  0.520954D+01  0.725323D+02
      3  -0.123448D+01 -0.138845D+01 -0.208093D+00  0.250348D-02 -0.176706D+02
      4   0.572292D+00  0.477503D+01  0.242332D+00  0.368037D+01 -0.215998D+02
      5   0.370017D+00  0.642817D+00  0.833571D+00  0.751169D-01  0.197741D+01
      6  -0.315415D+00 -0.797014D+00  0.199798D+01  0.161325D+00 -0.965618D+00
               231           232           233           234           235 
      1  -0.576068D+00  0.718534D+00  0.121369D+00 -0.817413D+00  0.361946D+02
      2   0.690991D+00 -0.484993D+00  0.173968D+00  0.166515D+01 -0.730713D+01
      3  -0.114922D+00 -0.233542D+00 -0.295337D+00 -0.847741D+00 -0.288875D+02
      4  -0.589052D-03 -0.386850D-01 -0.687953D+00  0.889196D+00 -0.510603D+02
      5  -0.215708D+01  0.219604D+01  0.461967D+00 -0.232676D+00 -0.346433D+01
      6   0.789262D+01 -0.916637D+00  0.306235D+01  0.938744D-01  0.268051D+01
               236           237           238           239           240 
      1  -0.182213D+02 -0.242724D+01 -0.173688D+02  0.877134D+01  0.736736D+00
      2  -0.193335D+01  0.651848D+00 -0.730386D+01  0.158816D+02  0.846339D+00
      3   0.201547D+02  0.177539D+01  0.246726D+02 -0.246530D+02 -0.158308D+01
      4   0.409448D+02  0.423717D+01  0.489623D+02 -0.538081D+02 -0.433687D+01
      5   0.215106D+01  0.711292D+01  0.219725D+01 -0.195855D+01 -0.685617D+01
      6  -0.201101D+01 -0.412301D+01 -0.226219D+01  0.275523D+01  0.571779D+01
               241           242           243           244           245 
      1  -0.331932D+01  0.130595D+01 -0.414443D+00  0.998911D+01  0.107861D+02
      2   0.576614D+00  0.466624D+00  0.121913D+01 -0.269245D+01 -0.346936D+01
      3   0.274270D+01 -0.177258D+01 -0.804682D+00 -0.729665D+01 -0.731678D+01
      4   0.502265D+01 -0.418415D+01 -0.383204D+01  0.166716D+02  0.133085D+02
      5  -0.475179D-01 -0.291172D+01 -0.946987D+00 -0.278140D+00 -0.504109D+00
      6   0.546949D+00  0.285676D+01  0.653387D+00 -0.111659D+00 -0.418735D+00
               246           247           248           249           250 
      1  -0.482358D+00  0.999208D+01 -0.682751D+01 -0.533611D+00 -0.387258D+00
      2   0.241217D+00  0.139588D+01  0.195971D+02  0.804440D-02  0.224137D+00
      3   0.241141D+00 -0.113880D+02 -0.127696D+02  0.525567D+00  0.163121D+00
      4  -0.100225D+01  0.239274D+02  0.399641D+02 -0.572673D+00 -0.681437D+00
      5   0.104706D+01  0.176936D+00  0.140176D+01  0.395392D+01  0.771037D+00
      6   0.386348D+00 -0.359706D-01  0.146126D+00  0.445197D+01  0.174914D+01
               251           252           253           254           255 
      1  -0.114321D+01 -0.102815D+01  0.213648D+01  0.325642D+01  0.873063D+01
      2   0.668035D+00  0.185031D+01 -0.128021D+01 -0.315316D+01 -0.409937D+01
      3   0.475170D+00 -0.822155D+00 -0.856265D+00 -0.103260D+00 -0.463127D+01
      4  -0.659463D-01 -0.133427D+00 -0.181118D+01 -0.422790D+01  0.194563D+01
      5  -0.102782D+01 -0.428525D-01  0.662869D+01  0.426941D+00 -0.645567D+01
      6   0.122024D+01 -0.292816D-02  0.228591D+01 -0.553142D+00 -0.384771D+01
               256           257           258           259           260 
      1   0.548273D+01 -0.160814D+01 -0.583625D+00  0.261143D+02  0.515225D+01
      2   0.366491D+00  0.848944D+01  0.489740D+01 -0.117755D+02  0.204280D+01
      3  -0.584922D+01 -0.688130D+01 -0.431378D+01 -0.143388D+02 -0.719505D+01
      4   0.187763D+02  0.276343D+02  0.188494D+02  0.250935D+02  0.268627D+02
      5   0.114130D+02  0.197895D+02  0.250784D+02  0.217969D+02  0.268486D+02
      6   0.494559D+01  0.964835D+01  0.122439D+02  0.886593D+01  0.132737D+02
               261           262           263           264           265 
      1  -0.571770D+01  0.195481D+03  0.131128D+02 -0.121698D+02 -0.118113D+02
      2   0.119864D+01 -0.101133D+03 -0.394620D+01  0.718610D+01  0.926543D+01
      3   0.451906D+01 -0.943488D+02 -0.916660D+01  0.498372D+01  0.254583D+01
      4   0.248570D+02  0.359664D+02  0.186103D+02 -0.221108D+01  0.161887D+02
      5   0.494104D+02 -0.145995D+02 -0.940531D+00  0.182915D+02  0.763260D+00
      6   0.180112D+02 -0.211004D+01 -0.815396D+00  0.305443D+01 -0.695659D+00
               266           267           268           269           270 
      1   0.146153D+02  0.110188D+01 -0.133984D+02 -0.437071D+00  0.141829D+02
      2  -0.730750D+01 -0.853073D+00  0.801442D+01  0.100808D+00 -0.806352D+01
      3  -0.730778D+01 -0.248802D+00  0.538400D+01  0.336263D+00 -0.611941D+01
      4  -0.116249D+01 -0.137742D+01 -0.253362D+01 -0.163751D+01  0.575391D+01
      5  -0.159120D+01  0.863226D+00  0.216407D+02  0.482680D+01 -0.424142D+01
      6  -0.104882D+00  0.182344D+01  0.312465D+01  0.276357D+01 -0.744124D+00
               271           272           273           274           275 
      1  -0.255739D+01  0.491444D+01 -0.124551D+02  0.505964D+01 -0.712898D+01
      2   0.636558D+00 -0.471593D+01  0.542290D+01 -0.547677D+00  0.109208D+02
      3   0.192083D+01 -0.198506D+00  0.703216D+01 -0.451196D+01 -0.379179D+01
      4  -0.396160D+01 -0.764739D+01  0.200091D+01  0.163158D+02  0.287070D+02
      5  -0.531654D+01  0.331377D+01 -0.111967D+02 -0.818294D+01 -0.200375D+02
      6  -0.175117D+01  0.340350D+01 -0.643155D+01 -0.451640D+01 -0.126104D+02
               276           277           278           279 
      1   0.729375D+01 -0.219064D+02  0.186132D+01 -0.128887D+02
      2  -0.714754D+01  0.104462D+02 -0.381517D+01  0.249941D+01
      3  -0.146206D+00  0.114601D+02  0.195384D+01  0.103893D+02
      4  -0.202580D+02 -0.189431D+02 -0.244381D+02  0.250002D+02
      5   0.259623D+02  0.171594D+02  0.262536D+02 -0.431786D+02
      6   0.145254D+02  0.787579D+01  0.151197D+02 -0.192905D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 00:36:00 2021, MaxMem=  5368709120 cpu:           52922.6 elap:            6620.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31087 -19.31053 -19.25129 -10.43472 -10.37845
 Alpha  occ. eigenvalues --  -10.36491 -10.33370 -10.32801 -10.32795 -10.32292
 Alpha  occ. eigenvalues --  -10.32068 -10.32046 -10.31793 -10.31726 -10.31496
 Alpha  occ. eigenvalues --  -10.31159 -10.29789  -1.19761  -1.17685  -1.11465
 Alpha  occ. eigenvalues --   -0.99217  -0.94768  -0.90300  -0.88243  -0.85265
 Alpha  occ. eigenvalues --   -0.83144  -0.80421  -0.75681  -0.73395  -0.71273
 Alpha  occ. eigenvalues --   -0.70931  -0.69281  -0.64074  -0.63117  -0.62526
 Alpha  occ. eigenvalues --   -0.59254  -0.57606  -0.57400  -0.56887  -0.55193
 Alpha  occ. eigenvalues --   -0.54818  -0.53557  -0.52575  -0.51642  -0.51279
 Alpha  occ. eigenvalues --   -0.50721  -0.50311  -0.48711  -0.48010  -0.46191
 Alpha  occ. eigenvalues --   -0.45272  -0.45052  -0.44753  -0.43380  -0.42367
 Alpha  occ. eigenvalues --   -0.41117  -0.40420  -0.38645  -0.36185  -0.32325
 Alpha  occ. eigenvalues --   -0.29909
 Alpha virt. eigenvalues --    0.00527   0.03288   0.06610   0.06929   0.07688
 Alpha virt. eigenvalues --    0.08426   0.09461   0.10632   0.10882   0.11195
 Alpha virt. eigenvalues --    0.12063   0.12921   0.13160   0.14226   0.14473
 Alpha virt. eigenvalues --    0.15257   0.15988   0.16433   0.16921   0.17799
 Alpha virt. eigenvalues --    0.17940   0.18134   0.18652   0.19215   0.19331
 Alpha virt. eigenvalues --    0.20064   0.21193   0.21847   0.21896   0.22086
 Alpha virt. eigenvalues --    0.22882   0.23129   0.23335   0.24128   0.24637
 Alpha virt. eigenvalues --    0.25076   0.25236   0.26235   0.26365   0.26906
 Alpha virt. eigenvalues --    0.27043   0.28239   0.28344   0.28549   0.28831
 Alpha virt. eigenvalues --    0.29610   0.30357   0.30565   0.30952   0.32069
 Alpha virt. eigenvalues --    0.32384   0.32453   0.33251   0.33835   0.34013
 Alpha virt. eigenvalues --    0.34278   0.34909   0.34984   0.35302   0.35702
 Alpha virt. eigenvalues --    0.36295   0.36514   0.37178   0.37282   0.37816
 Alpha virt. eigenvalues --    0.38173   0.38412   0.39219   0.39421   0.39603
 Alpha virt. eigenvalues --    0.40232   0.40757   0.41211   0.41488   0.41778
 Alpha virt. eigenvalues --    0.42131   0.42309   0.42404   0.43164   0.43293
 Alpha virt. eigenvalues --    0.43449   0.43858   0.44223   0.44507   0.44786
 Alpha virt. eigenvalues --    0.44968   0.45497   0.45760   0.45933   0.46334
 Alpha virt. eigenvalues --    0.46607   0.46751   0.47510   0.48180   0.48520
 Alpha virt. eigenvalues --    0.49114   0.49369   0.49596   0.49685   0.50042
 Alpha virt. eigenvalues --    0.50565   0.51151   0.51523   0.52078   0.52278
 Alpha virt. eigenvalues --    0.52626   0.52709   0.53090   0.53955   0.54536
 Alpha virt. eigenvalues --    0.54686   0.55168   0.55352   0.55579   0.56061
 Alpha virt. eigenvalues --    0.56862   0.57107   0.57724   0.58327   0.58751
 Alpha virt. eigenvalues --    0.58997   0.59493   0.59746   0.60254   0.60703
 Alpha virt. eigenvalues --    0.61275   0.61349   0.61962   0.62283   0.63487
 Alpha virt. eigenvalues --    0.63736   0.64303   0.64626   0.64689   0.65548
 Alpha virt. eigenvalues --    0.65795   0.66509   0.67117   0.67690   0.68019
 Alpha virt. eigenvalues --    0.68479   0.68941   0.69197   0.69920   0.70395
 Alpha virt. eigenvalues --    0.70761   0.71326   0.72760   0.73117   0.73410
 Alpha virt. eigenvalues --    0.73572   0.74656   0.75115   0.75352   0.75918
 Alpha virt. eigenvalues --    0.76297   0.76497   0.77901   0.78147   0.78695
 Alpha virt. eigenvalues --    0.79292   0.79564   0.80055   0.80570   0.81155
 Alpha virt. eigenvalues --    0.81860   0.81924   0.82551   0.83437   0.83979
 Alpha virt. eigenvalues --    0.84643   0.85074   0.85647   0.86768   0.87588
 Alpha virt. eigenvalues --    0.89290   0.89773   0.89976   0.90942   0.91458
 Alpha virt. eigenvalues --    0.92197   0.93118   0.93855   0.93967   0.95390
 Alpha virt. eigenvalues --    0.96252   0.96642   0.97871   0.98305   0.98858
 Alpha virt. eigenvalues --    1.00158   1.01478   1.01759   1.02286   1.04701
 Alpha virt. eigenvalues --    1.05066   1.05251   1.06460   1.07118   1.07379
 Alpha virt. eigenvalues --    1.08366   1.09106   1.09787   1.09862   1.10817
 Alpha virt. eigenvalues --    1.11593   1.12058   1.12361   1.12801   1.13268
 Alpha virt. eigenvalues --    1.13584   1.14861   1.15590   1.17960   1.18642
 Alpha virt. eigenvalues --    1.19531   1.20387   1.21799   1.22781   1.23132
 Alpha virt. eigenvalues --    1.23747   1.25683   1.26791   1.27044   1.27706
 Alpha virt. eigenvalues --    1.28799   1.29884   1.30717   1.31695   1.31956
 Alpha virt. eigenvalues --    1.33773   1.34595   1.34843   1.35941   1.36540
 Alpha virt. eigenvalues --    1.37824   1.39628   1.39846   1.40584   1.42270
 Alpha virt. eigenvalues --    1.42584   1.42782   1.44463   1.45287   1.45702
 Alpha virt. eigenvalues --    1.48924   1.49304   1.50079   1.53304   1.54754
 Alpha virt. eigenvalues --    1.55364   1.56772   1.57070   1.57789   1.58627
 Alpha virt. eigenvalues --    1.59227   1.61482   1.62646   1.63619   1.64416
 Alpha virt. eigenvalues --    1.65346   1.67678   1.68234   1.68839   1.69779
 Alpha virt. eigenvalues --    1.70179   1.71289   1.71410   1.73555   1.74516
 Alpha virt. eigenvalues --    1.74678   1.75753   1.78623   1.79519   1.80093
 Alpha virt. eigenvalues --    1.81863   1.82077   1.82869   1.84123   1.84565
 Alpha virt. eigenvalues --    1.86130   1.86833   1.88366   1.88499   1.90099
 Alpha virt. eigenvalues --    1.92324   1.93329   1.94151   1.95178   1.95983
 Alpha virt. eigenvalues --    1.96475   1.97146   1.97853   1.98375   1.99436
 Alpha virt. eigenvalues --    2.00613   2.00803   2.01520   2.04011   2.05081
 Alpha virt. eigenvalues --    2.06311   2.07091   2.08781   2.09253   2.09620
 Alpha virt. eigenvalues --    2.10801   2.11772   2.12587   2.13450   2.14347
 Alpha virt. eigenvalues --    2.14706   2.15992   2.16426   2.18572   2.18767
 Alpha virt. eigenvalues --    2.19873   2.20769   2.21403   2.22609   2.23656
 Alpha virt. eigenvalues --    2.24056   2.26144   2.28186   2.30559   2.30868
 Alpha virt. eigenvalues --    2.32174   2.34231   2.35099   2.35702   2.37462
 Alpha virt. eigenvalues --    2.38119   2.39227   2.41652   2.42198   2.43862
 Alpha virt. eigenvalues --    2.44239   2.46056   2.46656   2.48349   2.49955
 Alpha virt. eigenvalues --    2.51423   2.51960   2.54411   2.55078   2.55354
 Alpha virt. eigenvalues --    2.55898   2.58728   2.62243   2.62464   2.62983
 Alpha virt. eigenvalues --    2.64105   2.65422   2.66360   2.67243   2.68806
 Alpha virt. eigenvalues --    2.72698   2.74688   2.75364   2.79178   2.80874
 Alpha virt. eigenvalues --    2.86494   2.86866   2.91036   2.93684   2.96183
 Alpha virt. eigenvalues --    2.96441   2.99846   3.00573   3.00759   3.02127
 Alpha virt. eigenvalues --    3.02974   3.04096   3.04391   3.06452   3.07140
 Alpha virt. eigenvalues --    3.09217   3.11822   3.13446   3.16455   3.17208
 Alpha virt. eigenvalues --    3.17779   3.18821   3.20093   3.22711   3.23724
 Alpha virt. eigenvalues --    3.24687   3.27687   3.28684   3.30560   3.34577
 Alpha virt. eigenvalues --    3.35951   3.40812   3.54755   3.55076   3.68400
 Alpha virt. eigenvalues --    3.68584   3.71866   3.88653   3.93027   4.07817
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.762213  -1.476945  -1.133828   0.237057  -0.157011  -0.205744
     2  C   -1.476945  11.468431   0.190657  -0.887291   0.551167  -0.831576
     3  C   -1.133828   0.190657   9.427804  -0.972453  -0.166508  -0.159206
     4  C    0.237057  -0.887291  -0.972453  12.201612  -1.625790   0.558297
     5  C   -0.157011   0.551167  -0.166508  -1.625790   9.013929  -0.594371
     6  C   -0.205744  -0.831576  -0.159206   0.558297  -0.594371   8.023618
     7  C   -0.214537  -0.498248  -0.288337   0.108781   0.042034   0.157076
     8  H   -0.704280   0.221478   0.012566  -1.641227   0.171634   0.130302
     9  H    0.105861  -0.088480  -0.019995  -0.893129   0.240571  -0.430416
    10  H    0.207125  -1.038173   0.121142  -0.014148  -0.701944  -0.167700
    11  C    0.005545   0.027438  -0.568989   0.113810  -0.512853  -0.014927
    12  C    0.002637   0.003330  -0.000137  -0.021689  -0.025367  -0.000653
    13  C    0.005594  -0.000460  -0.173575   0.279185  -0.232556  -0.003233
    14  H   -0.013570  -0.010380  -0.147927  -0.164793   0.101504   0.013381
    15  H   -0.000089  -0.000106  -0.020527   0.003025  -0.010571  -0.000883
    16  H   -0.000398   0.001339   0.047753  -0.052935   0.012091  -0.000307
    17  H    0.001303   0.001474   0.005864  -0.025107  -0.005311   0.004298
    18  O   -0.000424  -0.000223   0.033867  -0.040182   0.050394  -0.002311
    19  O   -0.004012  -0.003104   0.016123  -0.025667   0.013002   0.005198
    20  H   -0.000862  -0.002328  -0.011328  -0.017545  -0.010517   0.001854
    21  C    0.045007  -0.473340   0.082729  -0.012232  -0.000336  -0.027569
    22  C   -0.621511   0.170002   0.023994   0.014566   0.003252   0.082873
    23  C   -0.232229  -0.579365   0.042268   0.110601  -0.035689  -0.618516
    24  O    0.042275   0.024461  -0.004497  -0.000977   0.000147  -0.008589
    25  C   -0.006061   0.003498  -0.000078  -0.000155   0.000150  -0.005314
    26  H   -0.194718   0.133931  -0.104133   0.021359  -0.015696  -0.013914
    27  H   -0.040950   0.032453   0.004158   0.001067   0.000609   0.003149
    28  H    0.077448  -0.278541   0.002010  -0.015296   0.017509   0.094522
    29  H    0.000185   0.002811  -0.000071   0.000008   0.000052  -0.000566
    30  H   -0.000781  -0.002003   0.000011   0.000002  -0.000007   0.000163
    31  H    0.000428   0.002716  -0.000061  -0.000004   0.000077  -0.000684
               7          8          9         10         11         12
     1  C   -0.214537  -0.704280   0.105861   0.207125   0.005545   0.002637
     2  C   -0.498248   0.221478  -0.088480  -1.038173   0.027438   0.003330
     3  C   -0.288337   0.012566  -0.019995   0.121142  -0.568989  -0.000137
     4  C    0.108781  -1.641227  -0.893129  -0.014148   0.113810  -0.021689
     5  C    0.042034   0.171634   0.240571  -0.701944  -0.512853  -0.025367
     6  C    0.157076   0.130302  -0.430416  -0.167700  -0.014927  -0.000653
     7  C    7.278272  -0.168505  -0.000707   0.010260  -0.018288  -0.000377
     8  H   -0.168505   2.934823   0.034698  -0.017179  -0.303863  -0.027656
     9  H   -0.000707   0.034698   2.884623  -0.688766  -0.246780  -0.014482
    10  H    0.010260  -0.017179  -0.688766   2.981596  -0.001207   0.001034
    11  C   -0.018288  -0.303863  -0.246780  -0.001207   7.296896   0.406070
    12  C   -0.000377  -0.027656  -0.014482   0.001034   0.406070   4.168921
    13  C    0.003557  -0.079491  -0.018079   0.002492  -0.179979   0.044579
    14  H    0.001609   0.006444   0.015039  -0.000159   0.145085  -0.148982
    15  H    0.000027  -0.005278  -0.000693  -0.000035   0.179028   0.209777
    16  H   -0.000418   0.018170  -0.011155   0.000470   0.157327   0.194854
    17  H    0.000131   0.001104   0.007846   0.001032   0.063108   0.271796
    18  O   -0.000235   0.008398   0.002554  -0.000430  -0.062107  -0.011378
    19  O   -0.002037   0.002962  -0.001144   0.001628   0.026067   0.006845
    20  H    0.000711   0.003960  -0.009525   0.000687  -0.049810   0.000976
    21  C   -0.041299   0.042250   0.000956  -0.019700  -0.000526   0.000028
    22  C    0.490615  -0.006990   0.000770  -0.033616  -0.000368  -0.000006
    23  C   -0.388052  -0.000374  -0.005455  -0.121570  -0.001007   0.000142
    24  O   -0.007038  -0.000648   0.000069  -0.000522   0.000027  -0.000000
    25  C   -0.003753  -0.000027   0.000000  -0.000644  -0.000003  -0.000000
    26  H   -0.595397  -0.105013   0.000614  -0.000312  -0.003849  -0.000095
    27  H    0.027824  -0.000034  -0.000025   0.000552   0.000024   0.000001
    28  H    0.054915   0.001629  -0.003009  -0.001446  -0.000318   0.000037
    29  H    0.000269  -0.000003   0.000003  -0.000311  -0.000000   0.000000
    30  H    0.000303   0.000000  -0.000000   0.000038  -0.000000  -0.000000
    31  H    0.000307  -0.000002   0.000003  -0.000362  -0.000000  -0.000000
              13         14         15         16         17         18
     1  C    0.005594  -0.013570  -0.000089  -0.000398   0.001303  -0.000424
     2  C   -0.000460  -0.010380  -0.000106   0.001339   0.001474  -0.000223
     3  C   -0.173575  -0.147927  -0.020527   0.047753   0.005864   0.033867
     4  C    0.279185  -0.164793   0.003025  -0.052935  -0.025107  -0.040182
     5  C   -0.232556   0.101504  -0.010571   0.012091  -0.005311   0.050394
     6  C   -0.003233   0.013381  -0.000883  -0.000307   0.004298  -0.002311
     7  C    0.003557   0.001609   0.000027  -0.000418   0.000131  -0.000235
     8  H   -0.079491   0.006444  -0.005278   0.018170   0.001104   0.008398
     9  H   -0.018079   0.015039  -0.000693  -0.011155   0.007846   0.002554
    10  H    0.002492  -0.000159  -0.000035   0.000470   0.001032  -0.000430
    11  C   -0.179979   0.145085   0.179028   0.157327   0.063108  -0.062107
    12  C    0.044579  -0.148982   0.209777   0.194854   0.271796  -0.011378
    13  C    5.621088  -0.185604  -0.033906  -0.025071   0.058493   0.093055
    14  H   -0.185604   1.122577   0.019036  -0.012086  -0.006854   0.005580
    15  H   -0.033906   0.019036   0.615880  -0.053018  -0.002149   0.007599
    16  H   -0.025071  -0.012086  -0.053018   0.666357   0.016498   0.007915
    17  H    0.058493  -0.006854  -0.002149   0.016498   0.648133  -0.003231
    18  O    0.093055   0.005580   0.007599   0.007915  -0.003231   8.401791
    19  O   -0.120736   0.004933   0.005011   0.000427  -0.006562   0.035025
    20  H    0.127399   0.004963  -0.000251   0.000650  -0.000092  -0.013859
    21  C   -0.000197  -0.000076  -0.000001   0.000012  -0.000002   0.000014
    22  C    0.000284  -0.000049   0.000001  -0.000006  -0.000003  -0.000016
    23  C   -0.000077  -0.000156  -0.000005   0.000007   0.000024   0.000018
    24  O   -0.000002   0.000002   0.000000  -0.000000   0.000000   0.000000
    25  C    0.000001  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    26  H    0.000596   0.000911  -0.000003  -0.000011   0.000009  -0.000020
    27  H   -0.000005  -0.000000   0.000000   0.000000   0.000000   0.000000
    28  H    0.000069  -0.000009   0.000000   0.000003  -0.000002  -0.000003
    29  H    0.000000  -0.000000   0.000000   0.000000   0.000000  -0.000000
    30  H    0.000000   0.000000   0.000000  -0.000000  -0.000000  -0.000000
    31  H   -0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.004012  -0.000862   0.045007  -0.621511  -0.232229   0.042275
     2  C   -0.003104  -0.002328  -0.473340   0.170002  -0.579365   0.024461
     3  C    0.016123  -0.011328   0.082729   0.023994   0.042268  -0.004497
     4  C   -0.025667  -0.017545  -0.012232   0.014566   0.110601  -0.000977
     5  C    0.013002  -0.010517  -0.000336   0.003252  -0.035689   0.000147
     6  C    0.005198   0.001854  -0.027569   0.082873  -0.618516  -0.008589
     7  C   -0.002037   0.000711  -0.041299   0.490615  -0.388052  -0.007038
     8  H    0.002962   0.003960   0.042250  -0.006990  -0.000374  -0.000648
     9  H   -0.001144  -0.009525   0.000956   0.000770  -0.005455   0.000069
    10  H    0.001628   0.000687  -0.019700  -0.033616  -0.121570  -0.000522
    11  C    0.026067  -0.049810  -0.000526  -0.000368  -0.001007   0.000027
    12  C    0.006845   0.000976   0.000028  -0.000006   0.000142  -0.000000
    13  C   -0.120736   0.127399  -0.000197   0.000284  -0.000077  -0.000002
    14  H    0.004933   0.004963  -0.000076  -0.000049  -0.000156   0.000002
    15  H    0.005011  -0.000251  -0.000001   0.000001  -0.000005   0.000000
    16  H    0.000427   0.000650   0.000012  -0.000006   0.000007  -0.000000
    17  H   -0.006562  -0.000092  -0.000002  -0.000003   0.000024   0.000000
    18  O    0.035025  -0.013859   0.000014  -0.000016   0.000018   0.000000
    19  O    8.301082   0.169188   0.000059   0.000001  -0.000094  -0.000006
    20  H    0.169188   0.534752  -0.000088  -0.000009   0.000162   0.000000
    21  C    0.000059  -0.000088   7.641916  -0.568036   0.101883  -0.011335
    22  C    0.000001  -0.000009  -0.568036   7.849994  -0.608256  -0.146674
    23  C   -0.000094   0.000162   0.101883  -0.608256   8.564542   0.231554
    24  O   -0.000006   0.000000  -0.011335  -0.146674   0.231554   8.758132
    25  C   -0.000001  -0.000000  -0.000323   0.098468   0.028069   0.104622
    26  H   -0.000542   0.000102  -0.537760   0.074189   0.060912   0.014032
    27  H    0.000006  -0.000003  -0.038577  -0.326521   0.013496   0.069314
    28  H   -0.000021  -0.000012   0.066171  -0.675887  -0.748781  -0.206675
    29  H   -0.000000  -0.000000  -0.000933   0.018156   0.008062   0.085764
    30  H   -0.000000  -0.000000   0.009570   0.023655   0.047163  -0.192001
    31  H    0.000000   0.000000  -0.001103   0.013009   0.008900   0.086331
              25         26         27         28         29         30
     1  C   -0.006061  -0.194718  -0.040950   0.077448   0.000185  -0.000781
     2  C    0.003498   0.133931   0.032453  -0.278541   0.002811  -0.002003
     3  C   -0.000078  -0.104133   0.004158   0.002010  -0.000071   0.000011
     4  C   -0.000155   0.021359   0.001067  -0.015296   0.000008   0.000002
     5  C    0.000150  -0.015696   0.000609   0.017509   0.000052  -0.000007
     6  C   -0.005314  -0.013914   0.003149   0.094522  -0.000566   0.000163
     7  C   -0.003753  -0.595397   0.027824   0.054915   0.000269   0.000303
     8  H   -0.000027  -0.105013  -0.000034   0.001629  -0.000003   0.000000
     9  H    0.000000   0.000614  -0.000025  -0.003009   0.000003  -0.000000
    10  H   -0.000644  -0.000312   0.000552  -0.001446  -0.000311   0.000038
    11  C   -0.000003  -0.003849   0.000024  -0.000318  -0.000000  -0.000000
    12  C   -0.000000  -0.000095   0.000001   0.000037   0.000000  -0.000000
    13  C    0.000001   0.000596  -0.000005   0.000069   0.000000   0.000000
    14  H   -0.000000   0.000911  -0.000000  -0.000009  -0.000000   0.000000
    15  H    0.000000  -0.000003   0.000000   0.000000   0.000000   0.000000
    16  H   -0.000000  -0.000011   0.000000   0.000003   0.000000  -0.000000
    17  H    0.000000   0.000009   0.000000  -0.000002   0.000000  -0.000000
    18  O   -0.000000  -0.000020   0.000000  -0.000003  -0.000000  -0.000000
    19  O   -0.000001  -0.000542   0.000006  -0.000021  -0.000000  -0.000000
    20  H   -0.000000   0.000102  -0.000003  -0.000012  -0.000000  -0.000000
    21  C   -0.000323  -0.537760  -0.038577   0.066171  -0.000933   0.009570
    22  C    0.098468   0.074189  -0.326521  -0.675887   0.018156   0.023655
    23  C    0.028069   0.060912   0.013496  -0.748781   0.008062   0.047163
    24  O    0.104622   0.014032   0.069314  -0.206675   0.085764  -0.192001
    25  C    4.109602   0.000906  -0.016707  -0.038102   0.226645   0.450784
    26  H    0.000906   2.100403  -0.201731  -0.007335   0.000055  -0.000018
    27  H   -0.016707  -0.201731   1.345167   0.016994   0.000181   0.000051
    28  H   -0.038102  -0.007335   0.016994   2.324146  -0.034435   0.056212
    29  H    0.226645   0.000055   0.000181  -0.034435   0.661216  -0.162601
    30  H    0.450784  -0.000018   0.000051   0.056212  -0.162601   1.455241
    31  H    0.227803   0.000054   0.000202  -0.030690   0.011857  -0.162447
              31
     1  C    0.000428
     2  C    0.002716
     3  C   -0.000061
     4  C   -0.000004
     5  C    0.000077
     6  C   -0.000684
     7  C    0.000307
     8  H   -0.000002
     9  H    0.000003
    10  H   -0.000362
    11  C   -0.000000
    12  C   -0.000000
    13  C   -0.000000
    14  H   -0.000000
    15  H    0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O    0.000000
    20  H    0.000000
    21  C   -0.001103
    22  C    0.013009
    23  C    0.008900
    24  O    0.086331
    25  C    0.227803
    26  H    0.000054
    27  H    0.000202
    28  H   -0.030690
    29  H    0.011857
    30  H   -0.162447
    31  H    0.659822
 Mulliken charges:
               1
     1  C   -0.484731
     2  C   -0.664624
     3  C   -0.239295
     4  C   -1.238748
     5  C   -0.123593
     6  C    0.011750
     7  C    0.050538
     8  H    0.470153
     9  H    0.138232
    10  H    0.480167
    11  C   -0.455552
    12  C    0.939794
    13  C    0.816579
    14  H    0.249583
    15  H    0.088132
    16  H    0.031534
    17  H   -0.031800
    18  O   -0.511790
    19  O   -0.423630
    20  H    0.270825
    21  C   -0.257164
    22  C    0.124117
    23  C    0.121826
    24  O   -0.837767
    25  C    0.820621
    26  H    0.372475
    27  H    0.109307
    28  H    0.328896
    29  H    0.183656
    30  H   -0.523335
    31  H    0.183844
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.484731
     2  C   -0.664624
     3  C    0.230857
     4  C   -1.238748
     5  C    0.014639
     6  C    0.491917
     7  C    0.423014
    11  C   -0.205969
    12  C    1.027660
    13  C    0.816579
    18  O   -0.511790
    19  O   -0.152805
    21  C   -0.147857
    22  C    0.124117
    23  C    0.450722
    24  O   -0.837767
    25  C    0.664786
 Electronic spatial extent (au):  <R**2>=           5501.2245
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.2210    Y=              0.3656    Z=             -1.6785  Tot=              5.4963
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -116.8161   YY=            -89.1721   ZZ=           -105.5795
   XY=             13.6455   XZ=            -10.6361   YZ=              1.3429
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.9602   YY=             14.6838   ZZ=             -1.7236
   XY=             13.6455   XZ=            -10.6361   YZ=              1.3429
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -208.5750  YYY=              1.6027  ZZZ=              4.1830  XYY=            -11.5744
  XXY=             -7.5905  XXZ=            -42.0131  XZZ=             -5.3286  YZZ=             -0.1100
  YYZ=              2.0199  XYZ=              6.0463
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6478.1220 YYYY=           -682.2447 ZZZZ=           -487.6524 XXXY=            369.9023
 XXXZ=           -215.4327 YYYX=             -5.5069 YYYZ=              2.7336 ZZZX=             -9.8273
 ZZZY=              0.2529 XXYY=          -1039.4240 XXZZ=          -1144.1036 YYZZ=           -213.3164
 XXYZ=             14.8155 YYXZ=              0.5742 ZZXY=             13.8676
 N-N= 1.134197978806D+03 E-N=-4.050582060357D+03  KE= 7.586743003792D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 00:36:01 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.05154310D+00 1.44098662D-01-6.12924232D-01
 Polarizability= 2.76001193D+02-6.98195046D+00 1.60134810D+02
                -1.23090949D+01 1.86295908D+00 1.11988278D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        6.4858    6.4847       -4.5833   -4.5739
 2     -6.4858   -6.4847       -1.0537   -1.0543      -62.8985  -62.8979
 3      4.5833    4.5739       88.7088   88.7130        1.0562    1.0543
 4      1.0537    1.0543        0.0000    0.0000        4.5796    4.5739
 5    -25.8103  -25.8152       -4.5796   -4.5739        6.4861    6.4847
 6     -1.0562   -1.0543       -6.4861   -6.4847       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -19.4542  -19.4542      -13.7217  -13.7217
 2      3.1630    3.1630       -0.0000    0.0000      -13.7217  -13.7217
 3      3.1630    3.1630      -19.4542  -19.4542        0.0000    0.0000
 4    -19.4542  -19.4542       -3.1630   -3.1630     -188.6936 -188.6936
 5     13.7217   13.7217      266.1391  266.1391        3.1630    3.1630
 6    -77.4455  -77.4455      -13.7217  -13.7217       19.4542   19.4542
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1960    0.0000      -25.8313  -25.9390       18.2053   18.2956
 2     25.8441   25.9390        3.8898    4.2173      251.1561  251.5915
 3    -18.5135  -18.2956     -354.4597 -354.8521       -4.1079   -4.2173
 4     -4.1998   -4.2173       -0.1893    0.0000      -18.3641  -18.2956
 5    103.0587  103.2606       18.2228   18.2956      -25.7891  -25.9390
 6      4.1824    4.2173       25.8987   25.9390       -0.0325    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2087    0.0000       78.0230   78.1068      -20.0624  -19.9657
 2    -78.1763  -78.1068       98.0343   97.3756       -7.2199   -7.4688
 3     20.1380   19.9657        1.4235    0.8578      -97.3699  -97.3756
 4    -97.3367  -97.3756       -0.3741    0.0000       19.8755   19.9657
 5      6.4430    6.6110      -19.7805  -19.9657       77.8916   78.1068
 6     97.0685   97.3756      -77.8995  -78.1068        0.0728    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -100.3133 -100.1491       63.5987   64.3223       11.8027   12.2303
 2   -239.2097 -239.4431      102.6104  103.5674       11.8477   12.2303
 3   -239.2684 -239.4431       63.4203   64.3223       36.0602   36.5101
 4    -39.1093  -39.2451      139.0966  139.2940       -7.6466   -7.6244
 5     24.5643   24.2799        0.6752    0.7687     -139.0758 -139.2940
 6      6.6714    6.8557      -25.2604  -24.2799       38.2051   39.2451
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4325   -2.8268   -0.0005    0.0007    0.0007    2.9090
 Low frequencies ---   28.5925   40.9996   45.5087
 Diagonal vibrational polarizability:
       64.2976957      99.7890273      83.6611673
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     28.5920                40.9969                45.5086
 Red. masses --      5.3904                 8.0286                 4.5467
 Frc consts  --      0.0026                 0.0080                 0.0055
 IR Inten    --      2.3576                 6.7175                 0.4206
 RamAct Fr= 1--      4.0817                 1.0248                 2.3632
  Dep-P Fr= 1--      0.7490                 0.7089                 0.7482
  Dep-U Fr= 1--      0.8565                 0.8296                 0.8560
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0001
 Beta2  Fr= 1--      0.5826                 0.1417                 0.3371
 AlphaG Fr= 1--      0.0011                 0.0100                -0.0024
 Gamma2 Fr= 1--      0.4750                -0.7970                 0.7748
 Delta2 Fr= 1--      0.2357                -0.4085                 0.0987
 Raman1 Fr= 1--      16.327                  4.099                  9.453
 ROA1   Fr= 1--      53.140                -89.579                 77.534
 CID1   Fr= 1--       3.255                -21.854                  8.202
 Raman2 Fr= 1--       6.992                  1.700                  4.046
 ROA2   Fr= 1--       9.514                -15.859                 17.804
 CID2   Fr= 1--       1.361                 -9.327                  4.401
 Raman3 Fr= 1--      13.984                  3.401                  8.091
 ROA3   Fr= 1--      53.140                -89.579                 77.534
 CID3   Fr= 1--       3.800                -26.342                  9.583
 RC180  Fr= 1--       0.713                  0.659                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.01  -0.02   0.03    -0.00   0.02  -0.12
     2   6    -0.00   0.02   0.09    -0.03  -0.01   0.04     0.01   0.02  -0.08
     3   6    -0.03   0.04   0.03    -0.00  -0.04   0.03    -0.00   0.03  -0.10
     4   6    -0.01   0.05   0.12    -0.01  -0.05   0.04     0.01   0.04  -0.05
     5   6     0.02   0.04   0.21    -0.04  -0.05   0.06     0.02   0.03  -0.05
     6   6     0.02   0.03   0.21    -0.04  -0.03   0.06     0.02   0.02  -0.06
     7   6    -0.05   0.02  -0.12     0.01  -0.00   0.01    -0.01   0.02  -0.16
     8   1    -0.04   0.05  -0.04     0.01  -0.05   0.02    -0.01   0.03  -0.10
     9   1     0.03   0.05   0.29    -0.05  -0.06   0.06     0.03   0.04  -0.02
    10   1     0.04   0.02   0.28    -0.05  -0.03   0.08     0.03   0.02  -0.04
    11   6    -0.01   0.06   0.06    -0.02  -0.06  -0.01     0.01   0.04   0.05
    12   6    -0.12   0.18  -0.03    -0.05  -0.11  -0.01     0.08   0.14   0.04
    13   6     0.06  -0.08  -0.05     0.08   0.06  -0.02    -0.05  -0.06   0.05
    14   1    -0.01   0.05   0.16    -0.03  -0.05  -0.08     0.02   0.04   0.14
    15   1    -0.11   0.16  -0.08    -0.06  -0.11  -0.05     0.09   0.11   0.13
    16   1    -0.17   0.28   0.05    -0.08  -0.15  -0.02     0.14   0.22   0.05
    17   1    -0.15   0.19  -0.14    -0.06  -0.11   0.03     0.05   0.14  -0.05
    18   8     0.03  -0.14  -0.18     0.26   0.48  -0.03    -0.02   0.00   0.08
    19   8     0.17  -0.14   0.02    -0.04  -0.33  -0.03    -0.14  -0.23   0.03
    20   1     0.18  -0.08   0.12    -0.13  -0.59  -0.04    -0.14  -0.24  -0.00
    21   6    -0.05   0.00  -0.15     0.00   0.02  -0.01    -0.01   0.01  -0.10
    22   6    -0.02  -0.01  -0.06    -0.02   0.03  -0.01     0.01   0.00  -0.01
    23   6    -0.00   0.00   0.06    -0.03   0.01   0.02     0.02   0.01  -0.02
    24   8    -0.03  -0.02  -0.11    -0.03   0.05  -0.05     0.02  -0.01   0.08
    25   6    -0.00  -0.03  -0.03    -0.05   0.06  -0.07     0.05  -0.02   0.29
    26   1    -0.07   0.02  -0.19     0.03  -0.01   0.01    -0.02   0.02  -0.21
    27   1    -0.06  -0.01  -0.25     0.01   0.03  -0.03    -0.01   0.00  -0.11
    28   1     0.02  -0.00   0.13    -0.05   0.02   0.03     0.03   0.00   0.04
    29   1     0.05  -0.10   0.02    -0.03   0.06  -0.06    -0.04  -0.12   0.32
    30   1    -0.01  -0.04  -0.10    -0.06   0.09  -0.11     0.06  -0.03   0.39
    31   1    -0.04   0.05   0.03    -0.10   0.05  -0.06     0.15   0.08   0.31
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.1629               127.4601               139.0871
 Red. masses --      4.0011                 4.4316                 4.0576
 Frc consts  --      0.0218                 0.0424                 0.0462
 IR Inten    --      2.9566                 0.3348                 0.2755
 RamAct Fr= 1--      2.4485                 0.3424                 0.5480
  Dep-P Fr= 1--      0.7235                 0.2800                 0.7431
  Dep-U Fr= 1--      0.8396                 0.4375                 0.8526
 Alpha2 Fr= 1--      0.0011                 0.0037                 0.0001
 Beta2  Fr= 1--      0.3426                 0.0250                 0.0779
 AlphaG Fr= 1--      0.0010                 0.0135                -0.0021
 Gamma2 Fr= 1--     -0.2028                 0.2151                 1.1492
 Delta2 Fr= 1--      0.3080                -0.2843                 0.9635
 Raman1 Fr= 1--       9.794                  1.370                  2.192
 ROA1   Fr= 1--      -9.614                 11.552                141.150
 CID1   Fr= 1--      -0.982                  8.435                 64.396
 Raman2 Fr= 1--       4.111                  0.300                  0.934
 ROA2   Fr= 1--      -7.332                  7.436                 19.872
 CID2   Fr= 1--      -1.783                 24.820                 21.267
 Raman3 Fr= 1--       8.223                  0.599                  1.869
 ROA3   Fr= 1--      -9.614                 11.552                141.150
 CID3   Fr= 1--      -1.169                 19.279                 75.531
 RC180  Fr= 1--       0.679                 -0.125                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.04    -0.02  -0.08  -0.13     0.03  -0.10   0.09
     2   6    -0.03  -0.02  -0.10    -0.04  -0.07  -0.10     0.01  -0.09   0.12
     3   6    -0.00  -0.04   0.13    -0.02  -0.09  -0.08     0.01  -0.09   0.02
     4   6    -0.01  -0.04   0.09    -0.00  -0.08   0.03     0.01  -0.08  -0.07
     5   6    -0.03  -0.03  -0.04    -0.01  -0.08   0.02     0.02  -0.08  -0.06
     6   6    -0.04  -0.02  -0.13    -0.03  -0.07  -0.06     0.02  -0.09   0.06
     7   6    -0.00  -0.02   0.04     0.01  -0.05  -0.13     0.06  -0.06   0.06
     8   1     0.01  -0.04   0.21    -0.03  -0.08  -0.10     0.00  -0.09   0.03
     9   1    -0.04  -0.04  -0.08    -0.01  -0.09   0.08     0.01  -0.08  -0.13
    10   1    -0.05  -0.02  -0.24    -0.02  -0.07  -0.05     0.03  -0.09   0.08
    11   6    -0.01  -0.02   0.06    -0.01   0.01   0.08    -0.01   0.03  -0.04
    12   6    -0.06  -0.01   0.03     0.03   0.16   0.04     0.10   0.21  -0.05
    13   6     0.07   0.02   0.02     0.05   0.02   0.04    -0.04   0.03  -0.03
    14   1    -0.04  -0.02   0.04    -0.10   0.01   0.15    -0.11   0.04   0.05
    15   1    -0.07   0.05  -0.03     0.01   0.27   0.05     0.08   0.30   0.04
    16   1    -0.13  -0.06   0.05    -0.02   0.18   0.08     0.12   0.27  -0.03
    17   1     0.00  -0.02   0.06     0.13   0.16  -0.04     0.19   0.22  -0.18
    18   8     0.07   0.03  -0.04     0.05   0.03  -0.01    -0.04   0.02   0.02
    19   8     0.16   0.08   0.06     0.13   0.06   0.07    -0.09   0.04  -0.05
    20   1     0.15   0.07   0.11     0.12   0.05   0.12    -0.08   0.04  -0.09
    21   6    -0.01  -0.00  -0.04     0.02  -0.02  -0.01     0.05  -0.02  -0.02
    22   6    -0.03   0.00  -0.12    -0.01  -0.01   0.07     0.02  -0.01  -0.01
    23   6    -0.05  -0.00  -0.17    -0.05  -0.04  -0.03    -0.01  -0.05   0.12
    24   8    -0.03   0.02  -0.12    -0.00   0.06   0.24    -0.00   0.08  -0.17
    25   6    -0.03   0.03   0.24    -0.13   0.11  -0.10    -0.10   0.13   0.05
    26   1     0.02  -0.02   0.13     0.04  -0.06  -0.18     0.10  -0.08   0.05
    27   1    -0.00   0.00  -0.02     0.04  -0.00   0.04     0.07  -0.00  -0.09
    28   1    -0.06   0.00  -0.25    -0.08  -0.03   0.00    -0.05  -0.04   0.14
    29   1    -0.18  -0.18   0.32    -0.21   0.35  -0.25    -0.04  -0.09   0.19
    30   1    -0.01   0.05   0.39    -0.12   0.19  -0.03    -0.10   0.23  -0.08
    31   1     0.11   0.22   0.30    -0.16  -0.17  -0.27    -0.23   0.28   0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    187.7822               209.6128               213.2491
 Red. masses --      3.2557                 1.0819                 3.1635
 Frc consts  --      0.0676                 0.0280                 0.0848
 IR Inten    --      0.9679                 0.5582                 2.5538
 RamAct Fr= 1--      0.1382                 0.2772                 6.5991
  Dep-P Fr= 1--      0.1275                 0.4004                 0.3156
  Dep-U Fr= 1--      0.2262                 0.5718                 0.4798
 Alpha2 Fr= 1--      0.0023                 0.0021                 0.0646
 Beta2  Fr= 1--      0.0052                 0.0264                 0.5277
 AlphaG Fr= 1--      0.0026                 0.0031                -0.0166
 Gamma2 Fr= 1--     -0.2456                -0.1739                -0.6316
 Delta2 Fr= 1--      0.0595                -0.0856                -0.4084
 Raman1 Fr= 1--       0.553                  1.109                 26.396
 ROA1   Fr= 1--     -21.679                -19.432                -73.704
 CID1   Fr= 1--     -39.212                -17.523                 -2.792
 Raman2 Fr= 1--       0.063                  0.317                  6.332
 ROA2   Fr= 1--      -6.371                 -3.489                -11.892
 CID2   Fr= 1--    -101.890                -11.004                 -1.878
 Raman3 Fr= 1--       0.125                  0.634                 12.664
 ROA3   Fr= 1--     -21.679                -19.432                -73.704
 CID3   Fr= 1--    -173.341                -30.643                 -5.820
 RC180  Fr= 1--      -0.548                  0.144                 -0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.08    -0.00   0.00  -0.01     0.03  -0.02   0.06
     2   6     0.01  -0.02  -0.10     0.00   0.00  -0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.01  -0.13    -0.00  -0.00  -0.02     0.02  -0.06   0.12
     4   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.09   0.06
     5   6     0.04  -0.01   0.22     0.00  -0.00   0.02    -0.02  -0.09   0.02
     6   6     0.03  -0.02   0.12    -0.00   0.00   0.01    -0.03  -0.05   0.01
     7   6     0.03  -0.02   0.10     0.00   0.00   0.01     0.07   0.02  -0.03
     8   1    -0.02  -0.00  -0.22    -0.00  -0.00  -0.04     0.07  -0.08   0.15
     9   1     0.07  -0.01   0.44     0.00  -0.00   0.04    -0.03  -0.09  -0.01
    10   1     0.05  -0.03   0.23    -0.00   0.00   0.03    -0.07  -0.04  -0.02
    11   6    -0.00   0.02  -0.02    -0.01   0.01   0.00    -0.06  -0.02   0.00
    12   6    -0.03   0.03  -0.04     0.03   0.00   0.02    -0.15   0.08  -0.07
    13   6    -0.03   0.01  -0.02    -0.01   0.01  -0.00    -0.06   0.01  -0.01
    14   1    -0.01   0.02  -0.01    -0.03   0.02  -0.01    -0.12  -0.02   0.03
    15   1     0.00  -0.09   0.00    -0.10   0.49  -0.21    -0.17   0.16  -0.18
    16   1     0.04   0.16  -0.02    -0.32  -0.44  -0.00    -0.28   0.10   0.01
    17   1    -0.17   0.05  -0.12     0.54  -0.05   0.30    -0.09   0.08  -0.13
    18   8    -0.03   0.00   0.01    -0.02  -0.01  -0.03    -0.05   0.03   0.02
    19   8    -0.06   0.00  -0.03    -0.01  -0.02   0.00    -0.09   0.04  -0.03
    20   1    -0.06   0.01  -0.06    -0.00  -0.01   0.02    -0.10   0.00  -0.06
    21   6     0.04  -0.01   0.18     0.00   0.01   0.02     0.05   0.06  -0.10
    22   6     0.02  -0.01  -0.05     0.00   0.01   0.00     0.05   0.06  -0.03
    23   6    -0.00  -0.01  -0.20     0.00   0.01  -0.01     0.02   0.04  -0.04
    24   8     0.02   0.02  -0.05     0.00   0.00  -0.01     0.07   0.02   0.07
    25   6    -0.01   0.03   0.04     0.01  -0.00   0.00     0.19  -0.03  -0.03
    26   1     0.05  -0.02   0.23     0.01   0.00   0.02     0.11   0.00  -0.06
    27   1     0.06  -0.02   0.38     0.01   0.01   0.04     0.06   0.07  -0.17
    28   1    -0.02  -0.01  -0.30    -0.00   0.01  -0.01    -0.01   0.05  -0.05
    29   1    -0.20   0.03  -0.01     0.03  -0.01   0.01     0.03   0.15  -0.18
    30   1     0.01   0.05   0.24     0.01  -0.01  -0.01     0.21  -0.16   0.25
    31   1     0.14   0.02  -0.04     0.02   0.01   0.01     0.46  -0.15  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    220.1036               241.1905               284.6901
 Red. masses --      2.6540                 1.6417                 2.7693
 Frc consts  --      0.0758                 0.0563                 0.1322
 IR Inten    --      1.9403                 0.3960                 1.8887
 RamAct Fr= 1--      1.8414                 1.4077                 2.5027
  Dep-P Fr= 1--      0.7169                 0.1859                 0.4117
  Dep-U Fr= 1--      0.8351                 0.3136                 0.5832
 Alpha2 Fr= 1--      0.0011                 0.0198                 0.0178
 Beta2  Fr= 1--      0.2563                 0.0736                 0.2433
 AlphaG Fr= 1--     -0.0012                -0.0093                -0.0044
 Gamma2 Fr= 1--     -1.3241                 0.3731                 0.2984
 Delta2 Fr= 1--     -0.5433                 0.0273                -0.1272
 Raman1 Fr= 1--       7.366                  5.631                 10.011
 ROA1   Fr= 1--    -144.495                 36.689                 24.578
 CID1   Fr= 1--     -19.617                  6.516                  2.455
 Raman2 Fr= 1--       3.076                  0.883                  2.919
 ROA2   Fr= 1--     -27.431                  8.735                  8.179
 CID2   Fr= 1--      -8.919                  9.894                  2.802
 Raman3 Fr= 1--       6.151                  1.766                  5.839
 ROA3   Fr= 1--    -144.495                 36.689                 24.578
 CID3   Fr= 1--     -23.490                 20.778                  4.210
 RC180  Fr= 1--       0.670                 -0.373                  0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.01   0.02   0.04     0.00   0.01   0.08
     2   6    -0.05   0.03  -0.02    -0.03   0.02   0.05    -0.02   0.02  -0.04
     3   6    -0.01  -0.05  -0.11    -0.00  -0.01  -0.00     0.02  -0.01   0.14
     4   6    -0.04  -0.09  -0.03    -0.00  -0.02  -0.04     0.02  -0.02   0.03
     5   6    -0.08  -0.08  -0.00    -0.04  -0.01  -0.01    -0.01  -0.01   0.09
     6   6    -0.09  -0.01  -0.01    -0.04   0.01   0.06    -0.02   0.01   0.06
     7   6     0.00   0.04   0.02    -0.03   0.01   0.02    -0.02   0.01   0.01
     8   1     0.03  -0.06  -0.15     0.01  -0.01  -0.01     0.04  -0.02   0.18
     9   1    -0.11  -0.10   0.03    -0.06  -0.03  -0.02    -0.02  -0.03   0.14
    10   1    -0.15   0.00   0.02    -0.05   0.02   0.09    -0.03   0.02   0.09
    11   6    -0.03  -0.06   0.02     0.02  -0.02  -0.03     0.03  -0.02  -0.06
    12   6     0.05   0.06   0.02     0.16   0.01   0.02     0.15   0.01  -0.02
    13   6     0.01  -0.02   0.02     0.02  -0.01  -0.02     0.02  -0.00  -0.05
    14   1    -0.08  -0.06   0.07    -0.00  -0.02  -0.01     0.01  -0.01  -0.05
    15   1     0.06   0.04   0.13     0.16   0.03   0.17     0.14   0.06   0.10
    16   1     0.13   0.18   0.03     0.26   0.03  -0.03     0.23   0.01  -0.07
    17   1     0.02   0.07  -0.12     0.19   0.01  -0.01     0.21   0.01  -0.04
    18   8     0.03   0.02  -0.00     0.02  -0.00  -0.02     0.01  -0.01  -0.00
    19   8     0.07   0.03   0.04     0.03   0.00  -0.01    -0.04   0.01  -0.09
    20   1     0.05  -0.00   0.07     0.03   0.00  -0.01    -0.04   0.01  -0.14
    21   6    -0.00   0.07   0.10    -0.04   0.02  -0.02    -0.03   0.01  -0.09
    22   6    -0.02   0.07   0.04    -0.04   0.02  -0.02    -0.04   0.01  -0.06
    23   6    -0.03   0.07   0.04    -0.03   0.03   0.00    -0.04   0.02  -0.16
    24   8    -0.02  -0.01  -0.06    -0.04  -0.01  -0.02    -0.02  -0.02   0.15
    25   6     0.16  -0.09  -0.01     0.01  -0.04  -0.01    -0.02  -0.03   0.01
    26   1     0.03   0.03   0.04    -0.03   0.02   0.02    -0.03   0.01   0.03
    27   1     0.02   0.09   0.17    -0.03   0.03  -0.04    -0.03   0.02  -0.12
    28   1    -0.04   0.07   0.06    -0.03   0.03  -0.04    -0.03   0.02  -0.17
    29   1     0.53  -0.21   0.16    -0.38   0.13  -0.21     0.38  -0.09   0.15
    30   1     0.12  -0.24  -0.37     0.05  -0.10   0.51    -0.06  -0.03  -0.47
    31   1    -0.01   0.12   0.21     0.41  -0.18  -0.29    -0.36   0.04   0.22
                     13                     14                     15
                      A                      A                      A
 Frequencies --    301.0332               382.7621               400.5402
 Red. masses --      4.1729                 4.4356                 5.1402
 Frc consts  --      0.2228                 0.3829                 0.4859
 IR Inten    --     10.1313                 5.9554                 1.1615
 RamAct Fr= 1--      5.1319                 1.4034                 0.9372
  Dep-P Fr= 1--      0.1643                 0.5434                 0.7428
  Dep-U Fr= 1--      0.2823                 0.7042                 0.8524
 Alpha2 Fr= 1--      0.0765                 0.0056                 0.0001
 Beta2  Fr= 1--      0.2414                 0.1647                 0.1332
 AlphaG Fr= 1--      0.0852                 0.0039                -0.0023
 Gamma2 Fr= 1--      0.9030                -0.8820                 1.5845
 Delta2 Fr= 1--      0.3444                 0.0766                 0.5753
 Raman1 Fr= 1--      20.528                  5.614                  3.749
 ROA1   Fr= 1--      97.714                -82.221                170.520
 CID1   Fr= 1--       4.760                -14.647                 45.486
 Raman2 Fr= 1--       2.897                  1.977                  1.598
 ROA2   Fr= 1--      18.917                -21.781                 33.425
 CID2   Fr= 1--       6.530                -11.020                 20.919
 Raman3 Fr= 1--       5.794                  3.953                  3.196
 ROA3   Fr= 1--      97.714                -82.221                170.520
 CID3   Fr= 1--      16.864                -20.799                 53.360
 RC180  Fr= 1--      -0.435                  0.408                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.07  -0.02    -0.08  -0.17  -0.01     0.02   0.04  -0.09
     2   6    -0.01   0.07   0.00    -0.10  -0.16  -0.01     0.01   0.05  -0.10
     3   6     0.06   0.02  -0.03    -0.10  -0.01   0.02     0.05  -0.03   0.13
     4   6     0.05  -0.02   0.01     0.04   0.12   0.04     0.03  -0.06   0.24
     5   6    -0.02   0.00  -0.00     0.04   0.11   0.03     0.01  -0.06   0.19
     6   6    -0.03   0.06  -0.01     0.05  -0.05  -0.05    -0.04   0.02  -0.21
     7   6    -0.04   0.03  -0.00    -0.01  -0.11  -0.02    -0.00   0.03  -0.13
     8   1     0.09   0.01  -0.03    -0.28   0.05   0.04     0.11  -0.05   0.11
     9   1    -0.05  -0.03  -0.01     0.09   0.15   0.04    -0.02  -0.09   0.27
    10   1    -0.06   0.07  -0.01     0.22  -0.11  -0.10    -0.11   0.04  -0.40
    11   6     0.10  -0.12  -0.02     0.10   0.10  -0.02     0.01   0.02   0.02
    12   6    -0.08   0.08  -0.19     0.02  -0.02  -0.02     0.07   0.00   0.08
    13   6     0.12  -0.10   0.03     0.10   0.02  -0.02     0.02   0.04  -0.07
    14   1     0.14  -0.12   0.07     0.15   0.10  -0.05    -0.06   0.03  -0.01
    15   1    -0.14   0.31  -0.44     0.03  -0.07  -0.09     0.08  -0.03   0.21
    16   1    -0.38   0.07  -0.02    -0.00  -0.09  -0.04     0.19  -0.00   0.00
    17   1     0.11   0.07  -0.29    -0.03  -0.02   0.10     0.06   0.00   0.10
    18   8     0.16  -0.04   0.25     0.07  -0.07   0.09    -0.01  -0.02  -0.08
    19   8    -0.02   0.05  -0.06    -0.02  -0.02  -0.09    -0.11   0.02  -0.16
    20   1    -0.02  -0.02  -0.21     0.02   0.06  -0.17    -0.08   0.06  -0.28
    21   6    -0.04  -0.01   0.02    -0.03   0.04   0.02     0.01   0.00   0.10
    22   6    -0.06  -0.02   0.02    -0.08   0.07   0.04     0.01  -0.00   0.16
    23   6    -0.01   0.03   0.03    -0.14  -0.03   0.05     0.04   0.03   0.16
    24   8    -0.06  -0.05  -0.02    -0.09   0.13  -0.01    -0.01  -0.04  -0.12
    25   6    -0.10  -0.05   0.01     0.17   0.03  -0.02    -0.06  -0.03  -0.01
    26   1    -0.10   0.05  -0.00     0.10  -0.15  -0.05    -0.04   0.04  -0.24
    27   1    -0.04  -0.01   0.04     0.04   0.10   0.02     0.01   0.01   0.10
    28   1     0.04   0.01   0.03    -0.24   0.00   0.06     0.06   0.02   0.17
    29   1    -0.18  -0.05  -0.01     0.29   0.11  -0.03    -0.20  -0.07  -0.02
    30   1    -0.09  -0.01   0.07     0.15  -0.24   0.01    -0.04   0.02   0.14
    31   1    -0.07  -0.06  -0.02     0.34   0.12  -0.04     0.03  -0.02  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.4210               453.9502               488.1798
 Red. masses --      3.3123                 5.0447                 2.5703
 Frc consts  --      0.3336                 0.6125                 0.3609
 IR Inten    --      0.0466                 9.4810                13.2523
 RamAct Fr= 1--      2.7414                 4.3285                 0.2417
  Dep-P Fr= 1--      0.7449                 0.0989                 0.6133
  Dep-U Fr= 1--      0.8538                 0.1800                 0.7603
 Alpha2 Fr= 1--      0.0002                 0.0760                 0.0006
 Beta2  Fr= 1--      0.3901                 0.1299                 0.0306
 AlphaG Fr= 1--      0.0071                -0.1476                -0.0045
 Gamma2 Fr= 1--      0.3902                -1.3490                -0.1128
 Delta2 Fr= 1--     -0.0027                -0.4330                 0.0029
 Raman1 Fr= 1--      10.966                 17.314                  0.967
 ROA1   Fr= 1--      37.371               -143.364                -10.737
 CID1   Fr= 1--       3.408                 -8.280                -11.105
 Raman2 Fr= 1--       4.681                  1.558                  0.368
 ROA2   Fr= 1--       9.386                -28.913                 -2.731
 CID2   Fr= 1--       2.005                -18.553                 -7.431
 Raman3 Fr= 1--       9.363                  3.117                  0.735
 ROA3   Fr= 1--      37.371               -143.364                -10.737
 CID3   Fr= 1--       3.991                -45.996                -14.607
 RC180  Fr= 1--       0.708                 -0.640                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.08    -0.11   0.05   0.00     0.02  -0.00   0.21
     2   6    -0.00   0.00  -0.04    -0.03  -0.00  -0.02     0.01  -0.00   0.18
     3   6    -0.01   0.00  -0.17    -0.13   0.09   0.04    -0.01   0.01  -0.11
     4   6     0.00  -0.01   0.02    -0.13   0.06   0.03     0.00   0.00   0.03
     5   6     0.01  -0.01   0.14    -0.10   0.07   0.05     0.00   0.00   0.07
     6   6    -0.02   0.00  -0.17    -0.07   0.02  -0.02    -0.01   0.00  -0.11
     7   6     0.02  -0.00   0.24    -0.11   0.04   0.00    -0.01   0.00  -0.10
     8   1    -0.03   0.00  -0.39    -0.15   0.10   0.05    -0.04   0.01  -0.44
     9   1     0.02  -0.01   0.29    -0.06   0.11   0.07    -0.00   0.00  -0.00
    10   1    -0.04   0.01  -0.34    -0.08   0.02  -0.03    -0.04   0.01  -0.42
    11   6     0.00   0.00   0.00    -0.07  -0.16  -0.01     0.00  -0.00  -0.02
    12   6     0.00   0.00   0.00     0.07   0.01  -0.01     0.01  -0.00  -0.03
    13   6     0.00   0.01  -0.00    -0.01  -0.14  -0.03    -0.01   0.01   0.01
    14   1    -0.00   0.00  -0.00     0.04  -0.17   0.09    -0.00  -0.00  -0.04
    15   1     0.00   0.00   0.00     0.03   0.18   0.17     0.01   0.01  -0.03
    16   1     0.00   0.00   0.00     0.13   0.04  -0.03     0.01   0.01  -0.03
    17   1    -0.00   0.00   0.00     0.25   0.00  -0.15     0.02  -0.00  -0.05
    18   8    -0.00  -0.00  -0.00     0.06   0.02   0.03    -0.01   0.00   0.01
    19   8    -0.00  -0.01  -0.00     0.02   0.06  -0.05     0.01  -0.02   0.02
    20   1     0.01   0.03  -0.00    -0.05  -0.18  -0.11     0.03   0.08   0.06
    21   6    -0.02   0.01  -0.20    -0.02  -0.12   0.00     0.00  -0.01   0.05
    22   6    -0.01   0.00  -0.09     0.14  -0.14   0.00     0.01  -0.01   0.08
    23   6     0.01   0.00   0.12     0.05  -0.18   0.01    -0.01  -0.00  -0.12
    24   8     0.00  -0.00   0.05     0.18   0.08  -0.02     0.00   0.00  -0.01
    25   6    -0.00  -0.00   0.00     0.14   0.17  -0.01     0.01   0.01   0.00
    26   1     0.04  -0.01   0.46    -0.17   0.06   0.01    -0.05   0.01  -0.46
    27   1    -0.03   0.01  -0.32    -0.19  -0.29   0.01    -0.02  -0.01  -0.13
    28   1     0.03  -0.00   0.34     0.11  -0.20   0.02    -0.04   0.00  -0.48
    29   1    -0.00   0.04  -0.02     0.12   0.15  -0.01     0.03  -0.02   0.02
    30   1    -0.00  -0.00   0.01     0.14   0.19   0.00     0.00   0.00  -0.04
    31   1    -0.01  -0.04  -0.02     0.14   0.15  -0.01    -0.01   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    498.2907               523.3692               533.2672
 Red. masses --      4.1577                 3.1269                 6.1066
 Frc consts  --      0.6082                 0.5046                 1.0231
 IR Inten    --      4.6455                20.6556                 5.4097
 RamAct Fr= 1--      2.9412                 0.9519                17.2997
  Dep-P Fr= 1--      0.5480                 0.7496                 0.2356
  Dep-U Fr= 1--      0.7080                 0.8569                 0.3814
 Alpha2 Fr= 1--      0.0114                 0.0000                 0.2134
 Beta2  Fr= 1--      0.3471                 0.1359                 1.0996
 AlphaG Fr= 1--      0.0079                -0.0025                -0.0591
 Gamma2 Fr= 1--     -1.1865                 1.8320                -1.5280
 Delta2 Fr= 1--     -0.7924                 0.1505                -0.0889
 Raman1 Fr= 1--      11.765                  3.807                 69.199
 ROA1   Fr= 1--    -139.259                180.694               -149.531
 CID1   Fr= 1--     -11.837                 47.457                 -2.161
 Raman2 Fr= 1--       4.165                  1.631                 13.195
 ROA2   Fr= 1--     -22.136                 42.765                -35.960
 CID2   Fr= 1--      -5.315                 26.215                 -2.725
 Raman3 Fr= 1--       8.330                  3.263                 26.390
 ROA3   Fr= 1--    -139.259                180.694               -149.531
 CID3   Fr= 1--     -16.718                 55.382                 -5.666
 RC180  Fr= 1--       0.416                  0.714                 -0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.02    -0.03   0.07  -0.01    -0.18  -0.01   0.02
     2   6     0.00   0.02   0.11    -0.02   0.07  -0.03     0.09  -0.10  -0.04
     3   6    -0.03  -0.04  -0.12     0.02  -0.09   0.03    -0.18  -0.08   0.04
     4   6    -0.02  -0.05   0.03     0.03  -0.09  -0.02    -0.07  -0.03  -0.02
     5   6    -0.04  -0.06  -0.12    -0.01  -0.09   0.00     0.16  -0.10   0.00
     6   6    -0.04  -0.00   0.07    -0.04   0.05   0.00     0.16  -0.14  -0.03
     7   6    -0.02   0.05   0.03    -0.09   0.05   0.01    -0.17   0.12   0.01
     8   1    -0.00  -0.05  -0.21     0.10  -0.11   0.04    -0.17  -0.08   0.05
     9   1    -0.09  -0.08  -0.26    -0.09  -0.17   0.05     0.27  -0.01   0.04
    10   1    -0.10   0.02   0.04    -0.14   0.08   0.06     0.16  -0.14  -0.01
    11   6    -0.01   0.11   0.13     0.04   0.14  -0.08    -0.05   0.01  -0.06
    12   6    -0.10   0.03   0.23     0.01  -0.01  -0.08     0.03  -0.02  -0.05
    13   6     0.14   0.02  -0.04     0.06   0.18   0.01     0.02   0.00  -0.01
    14   1    -0.10   0.12   0.17    -0.14   0.16  -0.24    -0.05   0.01  -0.09
    15   1    -0.07  -0.10   0.19     0.03  -0.11  -0.15     0.03   0.01   0.03
    16   1    -0.06  -0.07   0.16     0.01  -0.05  -0.10     0.09  -0.04  -0.10
    17   1    -0.20   0.02   0.42    -0.10  -0.01   0.04     0.07  -0.02  -0.05
    18   8     0.12  -0.08   0.01    -0.03  -0.04   0.08     0.02  -0.02   0.09
    19   8    -0.06   0.02  -0.20     0.03  -0.12   0.04     0.05  -0.03   0.00
    20   1     0.02   0.17  -0.42     0.24   0.56   0.18     0.07   0.05   0.06
    21   6    -0.01   0.01  -0.01    -0.05  -0.09   0.00    -0.20   0.26   0.02
    22   6     0.04  -0.01  -0.08     0.01  -0.08   0.01     0.10   0.14   0.02
    23   6     0.02  -0.01  -0.06     0.01  -0.07   0.01     0.09   0.12   0.00
    24   8     0.07  -0.02   0.03     0.01   0.06  -0.01     0.16  -0.10  -0.02
    25   6    -0.00   0.01   0.00     0.06   0.07  -0.00    -0.06  -0.01   0.00
    26   1    -0.02   0.05   0.07    -0.19   0.08   0.03    -0.01   0.07  -0.03
    27   1    -0.05  -0.04   0.06    -0.14  -0.18   0.01    -0.27   0.19  -0.00
    28   1     0.02  -0.01  -0.10     0.11  -0.10   0.04    -0.14   0.19   0.02
    29   1    -0.01  -0.00   0.01     0.10   0.09  -0.01    -0.21  -0.10   0.01
    30   1    -0.00   0.09  -0.03     0.06  -0.00   0.00    -0.03   0.27   0.01
    31   1    -0.07  -0.02   0.01     0.11   0.09  -0.01    -0.20  -0.09   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    541.2006               580.8898               602.8317
 Red. masses --      4.3388                 1.3160                 2.7651
 Frc consts  --      0.7488                 0.2616                 0.5920
 IR Inten    --      6.1101                55.5290                 1.3165
 RamAct Fr= 1--      2.7700                 1.2912                 2.2931
  Dep-P Fr= 1--      0.6878                 0.5214                 0.5357
  Dep-U Fr= 1--      0.8150                 0.6855                 0.6977
 Alpha2 Fr= 1--      0.0030                 0.0057                 0.0095
 Beta2  Fr= 1--      0.3763                 0.1475                 0.2666
 AlphaG Fr= 1--      0.0162                 0.0899                 0.0029
 Gamma2 Fr= 1--      1.4853                 1.3621                -0.3525
 Delta2 Fr= 1--      0.2162                 0.2429                -0.0551
 Raman1 Fr= 1--      11.080                  5.165                  9.172
 ROA1   Fr= 1--     149.507                138.538                -35.601
 CID1   Fr= 1--      13.493                 26.823                 -3.881
 Raman2 Fr= 1--       4.515                  1.770                  3.200
 ROA2   Fr= 1--      33.918                 30.748                 -8.018
 CID2   Fr= 1--       7.512                 17.370                 -2.506
 Raman3 Fr= 1--       9.030                  3.540                  6.400
 ROA3   Fr= 1--     149.507                138.538                -35.601
 CID3   Fr= 1--      16.556                 39.131                 -5.563
 RC180  Fr= 1--       0.630                  0.371                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07   0.00     0.01  -0.00  -0.01     0.02   0.00   0.10
     2   6     0.11   0.04   0.02     0.03  -0.01   0.00    -0.00   0.01  -0.16
     3   6     0.05  -0.05  -0.03     0.01   0.04   0.00     0.01   0.00   0.01
     4   6     0.06  -0.08   0.01    -0.02   0.02   0.02    -0.02  -0.00  -0.20
     5   6     0.20  -0.10  -0.03     0.01   0.02  -0.01     0.01  -0.01   0.01
     6   6     0.17   0.01  -0.01     0.03  -0.02   0.00     0.00  -0.00  -0.01
     7   6    -0.17  -0.01   0.02    -0.00  -0.03  -0.00     0.01  -0.01   0.05
     8   1     0.17  -0.08  -0.06     0.00   0.04  -0.02     0.04  -0.00   0.19
     9   1     0.20  -0.10  -0.07     0.05   0.05  -0.03     0.04  -0.02   0.41
    10   1     0.11   0.03  -0.03     0.05  -0.03   0.00     0.02  -0.01   0.36
    11   6     0.02  -0.08   0.07    -0.03  -0.09   0.03    -0.02   0.02   0.03
    12   6    -0.02  -0.00   0.05    -0.00  -0.00   0.01    -0.05   0.02   0.08
    13   6    -0.04  -0.07   0.01    -0.02  -0.05  -0.00     0.01  -0.05  -0.01
    14   1     0.05  -0.08   0.15     0.03  -0.09   0.04    -0.02   0.01   0.11
    15   1    -0.03   0.02   0.01    -0.02   0.07   0.06    -0.04  -0.02   0.04
    16   1    -0.07   0.05   0.11    -0.00   0.05   0.04    -0.07  -0.03   0.07
    17   1    -0.02   0.00  -0.02     0.06   0.00  -0.08    -0.09   0.02   0.15
    18   8    -0.01   0.03  -0.09     0.02   0.04  -0.02     0.04   0.00   0.01
    19   8    -0.04   0.07   0.00    -0.03  -0.04  -0.02     0.01   0.01  -0.03
    20   1    -0.18  -0.38  -0.09     0.29   0.92   0.02     0.05   0.11  -0.06
    21   6    -0.17  -0.07   0.01    -0.01  -0.00   0.00     0.00  -0.01  -0.06
    22   6    -0.09  -0.04  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.24
    23   6     0.04   0.01  -0.01     0.01   0.02   0.00     0.01   0.01  -0.02
    24   8    -0.14   0.14   0.02    -0.02   0.01   0.01    -0.02   0.01  -0.05
    25   6     0.08   0.08  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.30   0.03   0.04     0.00  -0.03   0.02    -0.03   0.00  -0.25
    27   1    -0.21  -0.11   0.03     0.01   0.02   0.04    -0.03   0.01  -0.54
    28   1     0.14  -0.02  -0.03     0.01   0.02   0.02    -0.00   0.01  -0.26
    29   1     0.23   0.16  -0.01     0.01   0.01  -0.00    -0.01  -0.02   0.01
    30   1     0.05  -0.20  -0.01    -0.00  -0.03  -0.00    -0.00  -0.03   0.02
    31   1     0.22   0.16  -0.02     0.01   0.00  -0.00     0.04   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    641.7999               682.4313               694.9994
 Red. masses --      5.1592                 5.2859                 3.7677
 Frc consts  --      1.2521                 1.4504                 1.0723
 IR Inten    --      1.3005                 3.6626                 9.0598
 RamAct Fr= 1--      1.1468                 0.9979                 0.1246
  Dep-P Fr= 1--      0.7232                 0.1737                 0.3872
  Dep-U Fr= 1--      0.8393                 0.2959                 0.5582
 Alpha2 Fr= 1--      0.0005                 0.0145                 0.0010
 Beta2  Fr= 1--      0.1604                 0.0492                 0.0116
 AlphaG Fr= 1--     -0.0094                -0.0230                 0.0060
 Gamma2 Fr= 1--      0.3797                 0.1047                -0.3311
 Delta2 Fr= 1--     -0.2681                -0.0098                -0.3115
 Raman1 Fr= 1--       4.587                  3.992                  0.498
 ROA1   Fr= 1--      27.869                  9.733                -41.758
 CID1   Fr= 1--       6.076                  2.438                -83.792
 Raman2 Fr= 1--       1.925                  0.591                  0.139
 ROA2   Fr= 1--      11.258                  2.591                 -5.455
 CID2   Fr= 1--       5.848                  4.386                -39.218
 Raman3 Fr= 1--       3.850                  1.181                  0.278
 ROA3   Fr= 1--      27.869                  9.733                -41.758
 CID3   Fr= 1--       7.239                  8.240               -150.100
 RC180  Fr= 1--       0.679                 -0.408                  0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.03  -0.01    -0.06   0.02   0.07    -0.04   0.02  -0.11
     2   6     0.16   0.00   0.00    -0.06   0.03   0.04    -0.02   0.01  -0.03
     3   6     0.05   0.18   0.02    -0.07  -0.14   0.06    -0.06  -0.04  -0.06
     4   6    -0.15   0.02   0.01    -0.01  -0.03  -0.16    -0.00  -0.02   0.25
     5   6    -0.04  -0.05   0.02     0.16   0.00   0.06     0.08   0.01  -0.09
     6   6    -0.00  -0.18  -0.02     0.10   0.18  -0.09     0.08   0.08   0.10
     7   6     0.01  -0.12  -0.02     0.10   0.18  -0.10     0.08   0.10   0.12
     8   1     0.12   0.15  -0.02    -0.05  -0.14   0.13    -0.06  -0.05  -0.22
     9   1     0.10   0.09  -0.03     0.12  -0.05   0.28     0.05   0.02  -0.49
    10   1    -0.07  -0.15  -0.07     0.12   0.18  -0.09     0.09   0.07  -0.02
    11   6    -0.21   0.05  -0.10    -0.11   0.01  -0.04    -0.08  -0.04  -0.03
    12   6    -0.04   0.02   0.04    -0.05   0.02   0.07     0.01  -0.02  -0.03
    13   6    -0.00   0.04  -0.11    -0.09  -0.13  -0.09    -0.03   0.02  -0.05
    14   1    -0.29   0.06  -0.13    -0.06  -0.00   0.12    -0.08  -0.04  -0.09
    15   1    -0.03   0.06   0.35    -0.05   0.02   0.20    -0.01   0.08   0.19
    16   1     0.21  -0.10  -0.17     0.05  -0.08  -0.04     0.13   0.01  -0.09
    17   1     0.09   0.00   0.14    -0.02   0.01   0.18     0.15  -0.02  -0.11
    18   8    -0.02  -0.03   0.20    -0.01   0.05   0.11    -0.04   0.01   0.06
    19   8     0.15  -0.05  -0.09     0.10  -0.01  -0.07     0.05  -0.02  -0.04
    20   1     0.04  -0.28   0.13     0.10   0.08   0.13     0.03  -0.03   0.10
    21   6    -0.00  -0.07   0.01     0.15   0.01   0.06     0.08   0.01  -0.10
    22   6    -0.05  -0.00  -0.04    -0.02  -0.03  -0.16     0.01  -0.02   0.20
    23   6     0.12   0.11   0.00    -0.08  -0.12   0.05    -0.04  -0.07  -0.06
    24   8    -0.11   0.06   0.02    -0.07   0.01   0.03    -0.06   0.02  -0.02
    25   6    -0.01   0.00   0.00    -0.03  -0.06   0.00    -0.02  -0.04  -0.00
    26   1    -0.05  -0.10   0.03     0.13   0.17  -0.05     0.09   0.10   0.11
    27   1     0.08  -0.00   0.10     0.14  -0.03   0.35     0.04  -0.00  -0.41
    28   1     0.21   0.08   0.05    -0.03  -0.14   0.26    -0.04  -0.07  -0.31
    29   1     0.08   0.05  -0.00     0.03  -0.01  -0.01     0.01  -0.04   0.00
    30   1    -0.02  -0.14  -0.00    -0.03  -0.13  -0.00    -0.02  -0.10   0.00
    31   1     0.07   0.04  -0.01     0.01  -0.05  -0.01     0.03   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    748.6629               781.5258               791.4097
 Red. masses --      5.7687                 2.6690                 3.3700
 Frc consts  --      1.9050                 0.9605                 1.2436
 IR Inten    --      6.7702                 0.7127                 0.5641
 RamAct Fr= 1--     35.1730                 6.1288                22.1466
  Dep-P Fr= 1--      0.0587                 0.0980                 0.0952
  Dep-U Fr= 1--      0.1109                 0.1786                 0.1738
 Alpha2 Fr= 1--      0.6805                 0.1078                 0.3924
 Beta2  Fr= 1--      0.6504                 0.1824                 0.6415
 AlphaG Fr= 1--     -0.2643                -0.0885                 0.2587
 Gamma2 Fr= 1--     -1.4950                 0.6618                 1.3523
 Delta2 Fr= 1--      0.3468                 0.6406                -0.0589
 Raman1 Fr= 1--     140.692                 24.515                 88.587
 ROA1   Fr= 1--    -132.424                 84.031                127.936
 CID1   Fr= 1--      -0.941                  3.428                  1.444
 Raman2 Fr= 1--       7.804                  2.189                  7.698
 ROA2   Fr= 1--     -38.655                 10.758                 32.926
 CID2   Fr= 1--      -4.953                  4.915                  4.277
 Raman3 Fr= 1--      15.608                  4.378                 15.396
 ROA3   Fr= 1--    -132.424                 84.031                127.936
 CID3   Fr= 1--      -8.484                 19.194                  8.310
 RC180  Fr= 1--      -0.778                 -0.643                 -0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11   0.06     0.01  -0.04   0.20    -0.02  -0.06  -0.09
     2   6     0.05  -0.07  -0.03    -0.02   0.03  -0.20     0.02   0.07   0.11
     3   6    -0.08   0.12   0.00    -0.02  -0.03  -0.04    -0.08  -0.07   0.02
     4   6    -0.13   0.02  -0.04    -0.00  -0.01   0.09    -0.06  -0.02  -0.08
     5   6     0.01  -0.05  -0.02     0.01   0.03  -0.09     0.05   0.05   0.03
     6   6     0.04  -0.20  -0.03     0.03   0.09   0.05     0.04   0.19  -0.06
     7   6     0.09   0.28  -0.02    -0.00  -0.07  -0.03     0.01  -0.15   0.00
     8   1    -0.02   0.10   0.05    -0.07  -0.02  -0.35    -0.10  -0.06   0.26
     9   1     0.21   0.11   0.15    -0.00   0.01  -0.02     0.03   0.02   0.20
    10   1     0.04  -0.21   0.12     0.05   0.09   0.28     0.02   0.20   0.01
    11   6    -0.03  -0.05   0.01    -0.05  -0.06  -0.00    -0.12  -0.10  -0.02
    12   6     0.02  -0.03  -0.05    -0.01  -0.01   0.01    -0.04  -0.02   0.01
    13   6     0.18   0.15   0.14     0.04   0.07   0.01     0.12   0.14   0.07
    14   1    -0.12  -0.03  -0.22    -0.09  -0.05  -0.12    -0.23  -0.08  -0.27
    15   1    -0.00   0.07  -0.00    -0.04   0.10   0.13    -0.08   0.18   0.25
    16   1     0.02   0.08   0.00     0.03   0.07   0.02     0.07   0.12   0.02
    17   1     0.09  -0.02  -0.22     0.10  -0.01  -0.14     0.17  -0.01  -0.23
    18   8     0.09  -0.10  -0.10    -0.00  -0.02  -0.00     0.05  -0.07  -0.03
    19   8    -0.13   0.01   0.10    -0.01  -0.01  -0.00    -0.05  -0.01   0.04
    20   1    -0.10  -0.06  -0.28    -0.02  -0.06  -0.03    -0.05  -0.07  -0.16
    21   6     0.14   0.01   0.02     0.00  -0.01   0.10     0.01  -0.03  -0.05
    22   6     0.01  -0.04  -0.04    -0.01   0.01  -0.08    -0.01   0.01   0.02
    23   6     0.01  -0.12   0.01     0.01   0.03  -0.00     0.04   0.08   0.02
    24   8    -0.15   0.06   0.02     0.02  -0.01  -0.00     0.02  -0.01   0.00
    25   6    -0.05  -0.07   0.00     0.01   0.01  -0.00     0.00   0.01   0.00
    26   1     0.07   0.29  -0.09    -0.01  -0.07  -0.39     0.08  -0.17   0.18
    27   1     0.04  -0.08   0.03     0.03   0.03  -0.15     0.12   0.06   0.11
    28   1     0.05  -0.14   0.08     0.07   0.02   0.59     0.06   0.08  -0.39
    29   1     0.06  -0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    30   1    -0.06  -0.27   0.00     0.01   0.03   0.03     0.00   0.04  -0.02
    31   1     0.06  -0.02  -0.01    -0.01  -0.01  -0.01    -0.01   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.4460               827.9605               834.5613
 Red. masses --      2.7915                 1.4916                 1.7777
 Frc consts  --      1.0910                 0.6025                 0.7295
 IR Inten    --     13.6835                 9.1212                 9.6949
 RamAct Fr= 1--      3.2900                 0.4480                 0.6249
  Dep-P Fr= 1--      0.5579                 0.7355                 0.3244
  Dep-U Fr= 1--      0.7162                 0.8476                 0.4898
 Alpha2 Fr= 1--      0.0120                 0.0001                 0.0060
 Beta2  Fr= 1--      0.3927                 0.0633                 0.0510
 AlphaG Fr= 1--     -0.0153                 0.0021                -0.0777
 Gamma2 Fr= 1--      1.0846                -1.4882                -0.0946
 Delta2 Fr= 1--      0.3761                -0.4431                -0.1819
 Raman1 Fr= 1--      13.160                  1.792                  2.500
 ROA1   Fr= 1--     116.154               -157.042                -14.897
 CID1   Fr= 1--       8.826                -87.626                 -5.960
 Raman2 Fr= 1--       4.713                  0.760                  0.612
 ROA2   Fr= 1--      23.021                -32.171                 -0.814
 CID2   Fr= 1--       4.885                -42.356                 -1.330
 Raman3 Fr= 1--       9.425                  1.519                  1.224
 ROA3   Fr= 1--     116.154               -157.042                -14.897
 CID3   Fr= 1--      12.324               -103.380                -12.167
 RC180  Fr= 1--       0.432                  0.695                 -0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.00    -0.01  -0.01   0.06     0.02   0.00   0.08
     2   6    -0.05  -0.06   0.05     0.01   0.02  -0.02    -0.02  -0.02  -0.06
     3   6     0.11   0.06  -0.03    -0.03  -0.01   0.01     0.04   0.02   0.03
     4   6     0.06  -0.01   0.02    -0.01   0.00   0.09     0.01  -0.00  -0.07
     5   6     0.00   0.04  -0.05    -0.01  -0.01  -0.09     0.01   0.01   0.04
     6   6     0.01  -0.03  -0.07    -0.01   0.00  -0.05     0.01  -0.00   0.06
     7   6    -0.03   0.05   0.01     0.00  -0.01  -0.06    -0.02   0.01  -0.09
     8   1     0.17   0.04   0.11    -0.07  -0.00  -0.30     0.05   0.02  -0.28
     9   1     0.06   0.05   0.39     0.02  -0.03   0.35    -0.01   0.02  -0.26
    10   1     0.16  -0.08   0.38     0.00   0.00   0.52     0.02  -0.01  -0.31
    11   6     0.04  -0.14   0.05     0.00   0.04  -0.01    -0.01  -0.04  -0.01
    12   6    -0.02  -0.02   0.08     0.02   0.00  -0.04    -0.02   0.00   0.04
    13   6    -0.01   0.16  -0.05    -0.01  -0.05  -0.00     0.02   0.04   0.01
    14   1    -0.00  -0.12  -0.14     0.03   0.04   0.08    -0.04  -0.03  -0.07
    15   1    -0.06   0.15   0.04     0.03  -0.05  -0.03    -0.04   0.05   0.05
    16   1    -0.14   0.22   0.28     0.05  -0.08  -0.10    -0.04   0.06   0.08
    17   1     0.07   0.01  -0.25    -0.02  -0.01   0.07     0.01   0.01  -0.05
    18   8    -0.10   0.00   0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
    19   8     0.07  -0.04  -0.09    -0.01   0.01   0.02     0.00  -0.01  -0.01
    20   1     0.02  -0.11   0.11    -0.01   0.01   0.00    -0.00  -0.02  -0.01
    21   6    -0.05   0.05   0.00     0.01  -0.01  -0.06    -0.03   0.02  -0.09
    22   6    -0.00   0.01  -0.04     0.00  -0.00   0.01     0.01   0.00   0.12
    23   6    -0.09  -0.08   0.05     0.03   0.02   0.06    -0.04  -0.02  -0.05
    24   8     0.04  -0.02   0.01    -0.01   0.01   0.00     0.01  -0.01  -0.03
    25   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   1    -0.06   0.06  -0.01     0.04  -0.02   0.34     0.02   0.00   0.55
    27   1    -0.09   0.01   0.05     0.06  -0.02   0.40     0.02  -0.00   0.53
    28   1    -0.22  -0.04  -0.30     0.02   0.02  -0.38    -0.06  -0.02   0.25
    29   1    -0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    30   1     0.02   0.06  -0.02    -0.01  -0.02  -0.01     0.01   0.03   0.02
    31   1    -0.02  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    867.9941               883.5904               915.1010
 Red. masses --      3.0791                 1.8318                 1.5449
 Frc consts  --      1.3668                 0.8426                 0.7623
 IR Inten    --      6.3848                34.2662                13.0548
 RamAct Fr= 1--     24.5711                 2.3546                 0.8932
  Dep-P Fr= 1--      0.0977                 0.5082                 0.3316
  Dep-U Fr= 1--      0.1780                 0.6739                 0.4980
 Alpha2 Fr= 1--      0.4326                 0.0112                 0.0083
 Beta2  Fr= 1--      0.7289                 0.2645                 0.0741
 AlphaG Fr= 1--      0.2995                -0.1196                -0.0227
 Gamma2 Fr= 1--      0.5127                 0.1466                -0.2458
 Delta2 Fr= 1--     -0.2785                 0.3518                -0.0245
 Raman1 Fr= 1--      98.284                  9.419                  3.573
 ROA1   Fr= 1--      40.308                 25.330                -24.381
 CID1   Fr= 1--       0.410                  2.689                 -6.824
 Raman2 Fr= 1--       8.747                  3.174                  0.890
 ROA2   Fr= 1--      14.534                  0.704                 -5.704
 CID2   Fr= 1--       1.662                  0.222                 -6.412
 Raman3 Fr= 1--      17.493                  6.347                  1.779
 ROA3   Fr= 1--      40.308                 25.330                -24.381
 CID3   Fr= 1--       2.304                  3.991                -13.703
 RC180  Fr= 1--      -0.644                  0.348                 -0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.03     0.00   0.00  -0.05     0.01   0.00   0.09
     2   6    -0.08  -0.04  -0.01     0.00  -0.01   0.14    -0.01   0.00  -0.03
     3   6     0.16   0.08   0.01     0.01   0.01   0.00    -0.01   0.01  -0.17
     4   6     0.03  -0.03   0.02     0.00  -0.00   0.04     0.00  -0.00   0.07
     5   6     0.05  -0.01  -0.01     0.00  -0.00  -0.06     0.01  -0.01  -0.00
     6   6     0.03   0.01  -0.01    -0.00   0.00  -0.08     0.01   0.00   0.02
     7   6    -0.03  -0.01   0.02    -0.00  -0.00   0.02    -0.00  -0.00  -0.02
     8   1     0.31   0.03  -0.19     0.03   0.00   0.04     0.10  -0.01   0.90
     9   1     0.05  -0.00  -0.04     0.04  -0.01   0.45     0.01  -0.01  -0.02
    10   1     0.15  -0.02   0.06     0.03  -0.00   0.28    -0.01   0.01  -0.07
    11   6    -0.15   0.06  -0.10    -0.02   0.01  -0.00    -0.01   0.02   0.01
    12   6    -0.06   0.03  -0.03     0.00   0.00  -0.02     0.00  -0.00  -0.03
    13   6     0.04  -0.08   0.03     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    14   1    -0.23   0.06  -0.04    -0.03   0.01   0.02    -0.02   0.02   0.02
    15   1    -0.04   0.02   0.34     0.00  -0.01   0.04     0.01  -0.02   0.04
    16   1     0.27  -0.18  -0.34     0.05  -0.04  -0.07     0.06  -0.05  -0.09
    17   1     0.07  -0.00   0.20     0.01  -0.00   0.03     0.02  -0.01   0.02
    18   8     0.09  -0.02  -0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.06   0.03   0.09    -0.01   0.00   0.01    -0.01   0.00   0.01
    20   1    -0.03   0.04  -0.09    -0.01  -0.00  -0.00     0.01   0.03   0.01
    21   6    -0.05   0.03   0.03    -0.01   0.00  -0.02    -0.00  -0.00  -0.04
    22   6    -0.03   0.02  -0.04     0.00   0.00   0.09    -0.00   0.00   0.02
    23   6    -0.15  -0.08   0.06    -0.03  -0.00  -0.17    -0.02  -0.00   0.01
    24   8     0.07  -0.05   0.00     0.01  -0.00  -0.02     0.01  -0.01  -0.01
    25   6     0.03   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.11   0.02  -0.08    -0.01  -0.00   0.04    -0.02  -0.00  -0.01
    27   1    -0.06   0.04  -0.11    -0.00   0.00  -0.00     0.03  -0.00   0.31
    28   1    -0.33  -0.02  -0.20     0.04  -0.02   0.79    -0.03   0.00   0.02
    29   1    -0.04  -0.01   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.05   0.15  -0.01     0.01   0.02   0.03     0.01   0.02   0.00
    31   1    -0.04  -0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.1285               963.4878               974.7275
 Red. masses --      4.2768                 1.3055                 1.3530
 Frc consts  --      2.2700                 0.7140                 0.7574
 IR Inten    --     25.2590                 0.2282                 0.4546
 RamAct Fr= 1--      0.4364                 1.6341                 1.8526
  Dep-P Fr= 1--      0.7472                 0.7290                 0.4187
  Dep-U Fr= 1--      0.8553                 0.8432                 0.5903
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0128
 Beta2  Fr= 1--      0.0622                 0.2297                 0.1822
 AlphaG Fr= 1--     -0.0000                 0.0243                -0.1315
 Gamma2 Fr= 1--     -1.5318                -0.0372                -1.5643
 Delta2 Fr= 1--      0.6041                -0.1559                -0.2291
 Raman1 Fr= 1--       1.745                  6.536                  7.410
 ROA1   Fr= 1--    -127.719                 -8.564               -157.502
 CID1   Fr= 1--     -73.172                 -1.310                -21.255
 Raman2 Fr= 1--       0.746                  2.756                  2.187
 ROA2   Fr= 1--     -41.595                  0.354                -35.710
 CID2   Fr= 1--     -55.722                  0.129                -16.328
 Raman3 Fr= 1--       1.493                  5.512                  4.374
 ROA3   Fr= 1--    -127.719                 -8.564               -157.502
 CID3   Fr= 1--     -85.548                 -1.554                -36.009
 RC180  Fr= 1--       0.711                  0.686                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07   0.00     0.00  -0.00   0.02     0.00  -0.01  -0.01
     2   6     0.09  -0.06  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.02
     3   6     0.08  -0.18  -0.03     0.00  -0.00  -0.03     0.01   0.01   0.02
     4   6     0.13  -0.02   0.01     0.00  -0.00   0.01    -0.01  -0.00   0.01
     5   6    -0.17   0.24   0.03    -0.00   0.00  -0.01    -0.01   0.00  -0.12
     6   6    -0.04  -0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.11
     7   6    -0.03   0.06   0.01    -0.01   0.00  -0.12     0.00  -0.01   0.02
     8   1     0.11  -0.19   0.08     0.02  -0.01   0.15     0.01   0.01  -0.06
     9   1    -0.26   0.17  -0.03     0.00   0.00   0.09     0.04  -0.02   0.69
    10   1     0.22  -0.08   0.08    -0.00   0.00  -0.06    -0.07   0.03  -0.67
    11   6    -0.04  -0.01  -0.08    -0.00   0.00   0.00    -0.01  -0.00   0.01
    12   6    -0.07   0.02   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    14   1    -0.13   0.00  -0.11    -0.01   0.00   0.01    -0.03  -0.00   0.05
    15   1    -0.08   0.09   0.31     0.00  -0.00   0.01     0.01  -0.02  -0.02
    16   1     0.13  -0.03  -0.13     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    17   1     0.07   0.01   0.09     0.00  -0.00   0.01    -0.02  -0.00   0.03
    18   8     0.02  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.02   0.01   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.02   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.12   0.16   0.00     0.01   0.00   0.10    -0.01   0.03  -0.01
    22   6     0.09  -0.04  -0.01     0.00  -0.00  -0.01     0.01  -0.00  -0.00
    23   6     0.17  -0.10  -0.02     0.00  -0.00  -0.00     0.01  -0.03   0.02
    24   8    -0.08   0.08   0.01    -0.00   0.00   0.01    -0.00   0.01   0.00
    25   6    -0.06  -0.06   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1     0.16   0.01  -0.06     0.07  -0.02   0.73     0.03  -0.02  -0.09
    27   1    -0.24   0.04   0.09    -0.06   0.02  -0.64    -0.00   0.04   0.04
    28   1     0.32  -0.15  -0.01     0.01  -0.01  -0.01     0.02  -0.03  -0.07
    29   1     0.07   0.01   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    30   1    -0.08  -0.26   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    31   1     0.07   0.01  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.3063              1012.6412              1061.8872
 Red. masses --      3.3120                 1.7481                 4.7693
 Frc consts  --      1.8829                 1.0561                 3.1686
 IR Inten    --      0.6264                 6.9001                53.3683
 RamAct Fr= 1--     16.1537                 4.1278                 2.8264
  Dep-P Fr= 1--      0.1308                 0.1772                 0.3671
  Dep-U Fr= 1--      0.2313                 0.3011                 0.5371
 Alpha2 Fr= 1--      0.2621                 0.0595                 0.0235
 Beta2  Fr= 1--      0.6226                 0.2072                 0.2530
 AlphaG Fr= 1--      0.0602                 0.0515                 0.0049
 Gamma2 Fr= 1--      1.4444                -0.9676                 0.2067
 Delta2 Fr= 1--      0.4942                -1.3286                 0.0303
 Raman1 Fr= 1--      64.615                 16.511                 11.306
 ROA1   Fr= 1--     154.477               -135.409                 20.814
 CID1   Fr= 1--       2.391                 -8.201                  1.841
 Raman2 Fr= 1--       7.472                  2.486                  3.036
 ROA2   Fr= 1--      30.711                -12.594                  4.719
 CID2   Fr= 1--       4.110                 -5.066                  1.554
 Raman3 Fr= 1--      14.943                  4.972                  6.072
 ROA3   Fr= 1--     154.477               -135.409                 20.814
 CID3   Fr= 1--      10.338                -27.235                  3.428
 RC180  Fr= 1--      -0.537                 -0.398                  0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.00     0.02   0.01  -0.00    -0.02   0.01   0.00
     2   6    -0.02  -0.02  -0.00     0.01  -0.02  -0.00    -0.04  -0.04   0.00
     3   6    -0.01  -0.16  -0.00     0.01  -0.03   0.01     0.02   0.04  -0.00
     4   6     0.08   0.01   0.00    -0.05  -0.06  -0.02     0.01  -0.01  -0.00
     5   6    -0.04   0.14  -0.03    -0.02   0.10   0.02     0.01  -0.02  -0.00
     6   6     0.01  -0.13   0.03     0.03   0.01  -0.01     0.00   0.03   0.00
     7   6    -0.00   0.12   0.00    -0.01   0.01   0.00    -0.08  -0.06   0.01
     8   1    -0.01  -0.17   0.00     0.12  -0.07  -0.05     0.06   0.03   0.00
     9   1     0.07   0.21   0.21     0.04   0.17  -0.08    -0.05  -0.08   0.00
    10   1     0.25  -0.21  -0.20     0.22  -0.04   0.01     0.04   0.02  -0.00
    11   6     0.00   0.00  -0.05    -0.06  -0.06   0.11     0.00  -0.01  -0.01
    12   6    -0.05  -0.00   0.03     0.08   0.03  -0.10    -0.01   0.01   0.00
    13   6    -0.00  -0.02  -0.00     0.02   0.06   0.02     0.00   0.00  -0.00
    14   1     0.06   0.00  -0.15    -0.39  -0.04   0.47    -0.02  -0.01   0.02
    15   1    -0.07   0.12   0.22     0.15  -0.31  -0.33     0.00  -0.02   0.02
    16   1     0.06   0.06  -0.00    -0.02  -0.24  -0.18     0.01  -0.02  -0.03
    17   1     0.10  -0.01  -0.06    -0.20   0.02   0.27    -0.01   0.01   0.05
    18   8     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    19   8    -0.01   0.00   0.02     0.01  -0.01  -0.03    -0.00  -0.00   0.00
    20   1    -0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    21   6     0.08  -0.22  -0.01     0.00  -0.02  -0.00     0.03  -0.12  -0.01
    22   6    -0.07   0.01   0.00    -0.01   0.00   0.00     0.18   0.11  -0.01
    23   6    -0.02   0.22   0.01    -0.01   0.02   0.00    -0.03   0.06   0.00
    24   8     0.03  -0.05  -0.00     0.00  -0.01  -0.00     0.10   0.30  -0.00
    25   6     0.04   0.05  -0.00     0.01   0.01  -0.00    -0.11  -0.33   0.00
    26   1    -0.36   0.23   0.03    -0.07   0.03   0.00    -0.33   0.01   0.03
    27   1    -0.03  -0.33  -0.01     0.00  -0.02   0.00    -0.20  -0.35   0.01
    28   1    -0.15   0.26   0.00    -0.05   0.03   0.01    -0.43   0.18   0.04
    29   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00    -0.12  -0.25  -0.02
    30   1     0.05   0.15  -0.00     0.01   0.02  -0.00    -0.09  -0.16   0.00
    31   1    -0.03   0.01   0.01    -0.00   0.00   0.00    -0.11  -0.25   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.0324              1103.9385              1151.3295
 Red. masses --      1.7766                 2.5878                 1.4719
 Frc consts  --      1.2414                 1.8581                 1.1496
 IR Inten    --     15.3404                10.1019                13.3744
 RamAct Fr= 1--      2.9506                 7.8233                 1.0878
  Dep-P Fr= 1--      0.1881                 0.3418                 0.6544
  Dep-U Fr= 1--      0.3166                 0.5095                 0.7911
 Alpha2 Fr= 1--      0.0414                 0.0705                 0.0019
 Beta2  Fr= 1--      0.1557                 0.6643                 0.1434
 AlphaG Fr= 1--     -0.0548                 0.0477                 0.0035
 Gamma2 Fr= 1--      1.0025                -0.7563                 0.4847
 Delta2 Fr= 1--      0.0330                 1.0994                 1.3050
 Raman1 Fr= 1--      11.802                 31.293                  4.351
 ROA1   Fr= 1--      97.295                -37.422                 88.291
 CID1   Fr= 1--       8.244                 -1.196                 20.291
 Raman2 Fr= 1--       1.868                  7.971                  1.721
 ROA2   Fr= 1--      23.796                -26.946                  1.193
 CID2   Fr= 1--      12.738                 -3.380                  0.693
 Raman3 Fr= 1--       3.736                 15.943                  3.442
 ROA3   Fr= 1--      97.295                -37.422                 88.291
 CID3   Fr= 1--      26.041                 -2.347                 25.649
 RC180  Fr= 1--      -0.367                  0.019                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.03   0.02  -0.00     0.00   0.08   0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.05  -0.00
     3   6     0.01   0.00   0.01     0.03  -0.05   0.00    -0.03  -0.06   0.00
     4   6     0.06   0.05  -0.05    -0.04  -0.01  -0.02    -0.02  -0.01  -0.00
     5   6     0.01  -0.05   0.01    -0.02   0.03   0.01     0.01   0.04   0.00
     6   6    -0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.01  -0.06   0.00
     7   6     0.01   0.01  -0.00    -0.00  -0.02  -0.00    -0.05  -0.06   0.00
     8   1    -0.12   0.04  -0.05     0.24  -0.12  -0.06     0.10  -0.11  -0.02
     9   1    -0.04  -0.10  -0.03     0.04   0.09  -0.00     0.21   0.22  -0.01
    10   1    -0.12   0.01   0.00     0.08  -0.03  -0.01    -0.07  -0.04   0.00
    11   6     0.03  -0.01   0.13    -0.11   0.20   0.15     0.04  -0.01  -0.00
    12   6    -0.10  -0.02  -0.11     0.06  -0.15  -0.06    -0.02   0.01  -0.00
    13   6     0.00   0.06   0.07    -0.04  -0.08   0.11     0.00   0.01  -0.02
    14   1     0.27  -0.04   0.32    -0.09   0.20  -0.17     0.15  -0.02   0.04
    15   1    -0.09   0.07   0.49    -0.03   0.21  -0.14    -0.02   0.01   0.09
    16   1     0.37  -0.13  -0.45    -0.04   0.25   0.19     0.05  -0.01  -0.05
    17   1     0.29  -0.06   0.04     0.20  -0.12  -0.62     0.04  -0.00   0.03
    18   8    -0.04   0.01  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   8     0.03  -0.01  -0.05     0.04   0.00  -0.07    -0.01   0.00   0.01
    20   1     0.03  -0.01  -0.06     0.07  -0.01  -0.27    -0.01   0.00   0.07
    21   6    -0.00  -0.00   0.00    -0.02   0.01   0.00     0.04   0.03  -0.00
    22   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.04  -0.00   0.00
    23   6     0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.07  -0.00
    24   8    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.04   0.04  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00  -0.04  -0.00
    26   1     0.04   0.00  -0.00    -0.05  -0.00   0.00    -0.41   0.05   0.04
    27   1    -0.05  -0.05   0.00     0.01   0.03   0.00     0.55   0.52  -0.03
    28   1     0.04  -0.00  -0.00    -0.01  -0.02   0.00     0.12  -0.11  -0.01
    29   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
    30   1    -0.00  -0.01   0.00    -0.00   0.00   0.00     0.02   0.09   0.00
    31   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.04   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.0385              1175.9684              1183.7967
 Red. masses --      1.2768                 2.2389                 1.3156
 Frc consts  --      1.0369                 1.8242                 1.0862
 IR Inten    --      0.8435                36.6029                 6.7018
 RamAct Fr= 1--      0.8466                22.2984                 3.6061
  Dep-P Fr= 1--      0.7420                 0.5355                 0.6324
  Dep-U Fr= 1--      0.8519                 0.6975                 0.7748
 Alpha2 Fr= 1--      0.0001                 0.0923                 0.0077
 Beta2  Fr= 1--      0.1202                 2.5920                 0.4657
 AlphaG Fr= 1--      0.0128                -0.0102                 0.0042
 Gamma2 Fr= 1--      0.1509                -6.7336                 0.4977
 Delta2 Fr= 1--     -0.0100                -1.8095                 0.3003
 Raman1 Fr= 1--       3.386                 89.193                 14.424
 ROA1   Fr= 1--      14.165               -704.330                 57.389
 CID1   Fr= 1--       4.183                 -7.897                  3.979
 Raman2 Fr= 1--       1.442                 31.104                  5.588
 ROA2   Fr= 1--       3.701               -147.131                  9.542
 CID2   Fr= 1--       2.566                 -4.730                  1.707
 Raman3 Fr= 1--       2.885                 62.209                 11.177
 ROA3   Fr= 1--      14.165               -704.330                 57.389
 CID3   Fr= 1--       4.910                -11.322                  5.135
 RC180  Fr= 1--       0.704                  0.395                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.01   0.07   0.00
     3   6     0.00  -0.00  -0.00    -0.02   0.02  -0.01     0.01  -0.05  -0.00
     4   6    -0.00   0.00   0.00     0.07   0.00   0.02     0.01   0.02   0.01
     5   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.06   0.03  -0.01
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.06  -0.05   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.01   0.00     0.02   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.24   0.10   0.06    -0.06  -0.03   0.01
     9   1     0.00   0.00  -0.00    -0.11  -0.11   0.03     0.53   0.44  -0.03
    10   1     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.53   0.09   0.05
    11   6    -0.00   0.00   0.00    -0.00  -0.05  -0.10    -0.01  -0.02  -0.02
    12   6     0.00  -0.00  -0.00     0.00   0.07   0.02     0.01   0.02   0.01
    13   6     0.00   0.00  -0.00    -0.04  -0.04   0.25    -0.00  -0.00   0.03
    14   1     0.00  -0.00   0.00    -0.23  -0.02  -0.31    -0.06  -0.01  -0.03
    15   1    -0.00   0.00  -0.00     0.04  -0.10  -0.06     0.02  -0.04  -0.04
    16   1    -0.00   0.00   0.00    -0.05  -0.09  -0.04    -0.03  -0.03   0.00
    17   1     0.00  -0.00  -0.00    -0.14   0.06   0.21    -0.04   0.02   0.04
    18   8     0.00  -0.00   0.00    -0.06   0.03  -0.02    -0.00   0.00  -0.00
    19   8    -0.00   0.00   0.00     0.08  -0.02  -0.07     0.01  -0.00  -0.01
    20   1    -0.00  -0.00   0.00     0.16  -0.02  -0.65     0.02  -0.00  -0.07
    21   6     0.00  -0.00   0.00     0.02   0.00  -0.00    -0.03   0.01   0.00
    22   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.02   0.00
    23   6     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.00   0.00
    24   8    -0.01   0.00  -0.06     0.00   0.00  -0.00     0.02   0.02  -0.00
    25   6     0.01  -0.00   0.14    -0.00  -0.00   0.00     0.00  -0.03  -0.00
    26   1     0.00  -0.00  -0.00    -0.21   0.07   0.02     0.25  -0.07  -0.02
    27   1    -0.00  -0.00  -0.01     0.18   0.15  -0.01    -0.25  -0.19   0.02
    28   1    -0.00   0.00  -0.02     0.02  -0.01  -0.00     0.06  -0.03  -0.01
    29   1     0.17   0.62  -0.18     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    30   1    -0.02   0.01  -0.28     0.00   0.01  -0.00     0.01   0.06   0.00
    31   1    -0.20  -0.62  -0.17     0.00   0.00   0.00    -0.02  -0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1192.3048              1205.0676              1224.6997
 Red. masses --      1.4867                 1.5172                 1.7611
 Frc consts  --      1.2452                 1.2982                 1.5563
 IR Inten    --     16.3939                37.9711                63.2354
 RamAct Fr= 1--      2.3244                52.9585                15.0539
  Dep-P Fr= 1--      0.6951                 0.1818                 0.2119
  Dep-U Fr= 1--      0.8201                 0.3077                 0.3497
 Alpha2 Fr= 1--      0.0022                 0.7544                 0.1981
 Beta2  Fr= 1--      0.3177                 2.7161                 0.8774
 AlphaG Fr= 1--     -0.0020                -0.0281                -0.0069
 Gamma2 Fr= 1--      3.0838                 1.3996                -0.3337
 Delta2 Fr= 1--     -1.0267                 1.9117                -0.0708
 Raman1 Fr= 1--       9.298                211.834                 60.215
 ROA1   Fr= 1--     263.190                195.542                -34.303
 CID1   Fr= 1--      28.307                  0.923                 -0.570
 Raman2 Fr= 1--       3.813                 32.593                 10.528
 ROA2   Fr= 1--      82.225                 18.298                 -7.442
 CID2   Fr= 1--      21.567                  0.561                 -0.707
 Raman3 Fr= 1--       7.625                 65.186                 21.057
 ROA3   Fr= 1--     263.190                195.542                -34.303
 CID3   Fr= 1--      34.517                  3.000                 -1.629
 RC180  Fr= 1--       0.640                 -0.385                 -0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.01    -0.03   0.04   0.00     0.03  -0.00  -0.00
     2   6    -0.08   0.05   0.01     0.02  -0.02  -0.00     0.12  -0.06  -0.01
     3   6     0.02  -0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.00   0.00
     4   6    -0.06   0.01   0.01    -0.10  -0.03   0.01    -0.05  -0.04   0.00
     5   6    -0.03  -0.02   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
     6   6     0.05  -0.03  -0.00     0.00   0.03   0.00    -0.00   0.06   0.00
     7   6     0.04  -0.03  -0.00     0.00  -0.04  -0.00    -0.01   0.01   0.00
     8   1     0.41  -0.13  -0.03     0.49  -0.18  -0.04     0.11  -0.05  -0.01
     9   1    -0.01  -0.00   0.01     0.12   0.15  -0.00    -0.07  -0.00   0.01
    10   1     0.38  -0.14  -0.04    -0.06   0.05   0.01    -0.23   0.13   0.02
    11   6     0.03  -0.01  -0.03     0.07  -0.00  -0.03     0.04   0.01  -0.00
    12   6    -0.01   0.03   0.01    -0.02   0.03   0.01    -0.02   0.01  -0.00
    13   6    -0.00   0.01   0.04    -0.01   0.00   0.05    -0.00  -0.00   0.02
    14   1     0.20  -0.03  -0.04     0.31  -0.02  -0.08     0.13   0.00  -0.05
    15   1     0.01  -0.03   0.01    -0.01  -0.02   0.05    -0.01   0.01   0.04
    16   1     0.01  -0.03  -0.03     0.04  -0.03  -0.06     0.04   0.00  -0.03
    17   1    -0.02   0.02   0.08     0.02   0.02   0.09     0.03   0.00   0.02
    18   8    -0.02   0.01  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    19   8     0.01  -0.01  -0.01     0.02  -0.01  -0.01     0.01  -0.00  -0.01
    20   1     0.03  -0.01  -0.12     0.03  -0.01  -0.12     0.01  -0.00  -0.02
    21   6    -0.03  -0.02   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    22   6    -0.05   0.02   0.00     0.08   0.02  -0.01     0.02   0.00  -0.00
    23   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.01   0.03   0.00    -0.01  -0.05  -0.00    -0.11   0.01   0.01
    25   6     0.04  -0.04  -0.00    -0.06   0.06   0.01     0.13  -0.01  -0.01
    26   1     0.42  -0.15  -0.04     0.10  -0.08  -0.01    -0.01   0.01   0.00
    27   1    -0.10  -0.09   0.01    -0.02  -0.05   0.00    -0.05  -0.05   0.00
    28   1     0.39  -0.12  -0.04    -0.40   0.13   0.04    -0.41   0.09   0.04
    29   1    -0.14  -0.08  -0.02     0.19   0.11   0.04    -0.35  -0.17  -0.05
    30   1     0.07   0.29   0.00    -0.11  -0.43  -0.00     0.18   0.55  -0.00
    31   1    -0.13  -0.08   0.04     0.19   0.11  -0.07    -0.34  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1268.2530              1283.2225              1299.5873
 Red. masses --      3.6075                 1.5270                 1.6895
 Frc consts  --      3.4187                 1.4815                 1.6812
 IR Inten    --     92.4369                32.8616                56.7176
 RamAct Fr= 1--      6.1291                 4.1389                 4.1398
  Dep-P Fr= 1--      0.2229                 0.7491                 0.7499
  Dep-U Fr= 1--      0.3646                 0.8565                 0.8571
 Alpha2 Fr= 1--      0.0783                 0.0001                 0.0000
 Beta2  Fr= 1--      0.3724                 0.5909                 0.5914
 AlphaG Fr= 1--      0.0247                 0.0011                -0.0002
 Gamma2 Fr= 1--     -0.0290                -3.7195                10.1200
 Delta2 Fr= 1--     -0.1624                -0.2753                -0.2372
 Raman1 Fr= 1--      24.516                 16.556                 16.559
 ROA1   Fr= 1--      -7.983               -365.878                963.932
 CID1   Fr= 1--      -0.326                -22.100                 58.212
 Raman2 Fr= 1--       4.469                  7.090                  7.096
 ROA2   Fr= 1--       0.602                -87.064                244.778
 CID2   Fr= 1--       0.135                -12.279                 34.493
 Raman3 Fr= 1--       8.938                 14.181                 14.193
 ROA3   Fr= 1--      -7.983               -365.878                963.932
 CID3   Fr= 1--      -0.893                -25.801                 67.917
 RC180  Fr= 1--      -0.271                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24  -0.08  -0.02     0.03  -0.06  -0.00    -0.00   0.10   0.00
     2   6     0.09  -0.02  -0.01    -0.02  -0.03   0.00     0.10   0.08  -0.01
     3   6    -0.07   0.01   0.01     0.03  -0.04  -0.01    -0.04  -0.03   0.00
     4   6    -0.19  -0.14   0.01    -0.00   0.07   0.01     0.06   0.02  -0.00
     5   6    -0.02   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     6   6     0.00   0.07   0.00    -0.00   0.01  -0.00     0.02  -0.06  -0.00
     7   6     0.01   0.07   0.00     0.01   0.02   0.00    -0.01  -0.02   0.00
     8   1    -0.30   0.07   0.02     0.13  -0.08   0.00    -0.17   0.01   0.02
     9   1    -0.03   0.01   0.01    -0.06  -0.07  -0.00    -0.20  -0.14   0.01
    10   1     0.44  -0.06  -0.04    -0.16   0.06   0.02     0.08  -0.08  -0.01
    11   6     0.10   0.03  -0.00    -0.14  -0.01  -0.05    -0.03   0.00  -0.04
    12   6    -0.03   0.01   0.00     0.05  -0.00   0.02     0.01  -0.03   0.01
    13   6    -0.01   0.00   0.00     0.03   0.05  -0.03     0.01   0.02  -0.04
    14   1     0.45   0.00  -0.09     0.65  -0.09   0.36    -0.02  -0.01   0.35
    15   1    -0.02   0.00   0.07     0.03   0.01  -0.13    -0.02   0.07   0.00
    16   1     0.09   0.01  -0.07    -0.10  -0.02   0.09    -0.03   0.05   0.08
    17   1     0.08   0.00   0.04    -0.13   0.01  -0.03    -0.02  -0.02  -0.06
    18   8    -0.02   0.01  -0.00    -0.02  -0.00   0.01    -0.02   0.00   0.01
    19   8     0.01  -0.00   0.01     0.01  -0.01   0.04     0.01  -0.01   0.04
    20   1     0.04   0.00  -0.17     0.07  -0.00  -0.40     0.06   0.01  -0.35
    21   6    -0.03   0.06   0.00    -0.00   0.01   0.00    -0.02  -0.01   0.00
    22   6    -0.15  -0.11   0.01     0.00   0.02  -0.00    -0.04  -0.07   0.00
    23   6    -0.11   0.04   0.01     0.01  -0.00  -0.00    -0.05  -0.02   0.00
    24   8     0.12   0.05  -0.01    -0.01  -0.01   0.00     0.04   0.02  -0.00
    25   6    -0.04  -0.05   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    26   1    -0.06   0.11   0.01    -0.30   0.12   0.03     0.52  -0.19  -0.05
    27   1    -0.27  -0.14   0.02    -0.03  -0.02   0.00     0.09   0.10  -0.01
    28   1     0.22  -0.06  -0.02     0.11  -0.03  -0.01    -0.48   0.11   0.04
    29   1     0.13   0.07  -0.01    -0.01  -0.00  -0.00     0.03   0.02  -0.01
    30   1    -0.03   0.01   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    31   1     0.13   0.07  -0.01    -0.01  -0.00   0.00     0.03   0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1300.7338              1310.2521              1340.6064
 Red. masses --      2.1450                 1.6817                 1.7868
 Frc consts  --      2.1382                 1.7011                 1.8921
 IR Inten    --    108.0492               120.2947               119.6299
 RamAct Fr= 1--      1.5798                 4.1654                 4.7158
  Dep-P Fr= 1--      0.7126                 0.6853                 0.7223
  Dep-U Fr= 1--      0.8322                 0.8133                 0.8387
 Alpha2 Fr= 1--      0.0010                 0.0047                 0.0023
 Beta2  Fr= 1--      0.2191                 0.5646                 0.6592
 AlphaG Fr= 1--      0.0006                -0.0170                 0.0001
 Gamma2 Fr= 1--      2.4017                -6.2063                -0.6458
 Delta2 Fr= 1--     -0.2707                -0.4245                 1.0420
 Raman1 Fr= 1--       6.319                 16.662                 18.863
 ROA1   Fr= 1--     221.902               -609.389                -28.651
 CID1   Fr= 1--      35.116                -36.574                 -1.519
 Raman2 Fr= 1--       2.629                  6.775                  7.911
 ROA2   Fr= 1--      59.807               -145.555                -23.834
 CID2   Fr= 1--      22.746                -21.484                 -3.013
 Raman3 Fr= 1--       5.259                 13.550                 15.821
 ROA3   Fr= 1--     221.902               -609.389                -28.651
 CID3   Fr= 1--      42.198                -44.972                 -1.811
 RC180  Fr= 1--       0.664                  0.627                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.08   0.01     0.05   0.03  -0.00     0.01  -0.01  -0.00
     2   6     0.07  -0.12  -0.01     0.04   0.06  -0.00     0.00  -0.01   0.00
     3   6     0.01   0.05   0.00    -0.01  -0.06  -0.00    -0.01   0.02  -0.00
     4   6     0.03   0.02  -0.00     0.02   0.07   0.00    -0.01  -0.03   0.02
     5   6     0.02   0.03  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.03   0.00     0.02  -0.04  -0.00    -0.01   0.01   0.00
     7   6    -0.04   0.09   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1     0.56  -0.12  -0.05    -0.11  -0.04   0.01     0.02   0.01   0.04
     9   1    -0.20  -0.16   0.01    -0.16  -0.15   0.01     0.03   0.03   0.01
    10   1    -0.47   0.18   0.05     0.06  -0.05  -0.00     0.04  -0.00  -0.00
    11   6    -0.02  -0.01   0.02    -0.11  -0.02   0.03     0.02   0.03  -0.17
    12   6     0.01   0.01  -0.01     0.04   0.05  -0.01    -0.02  -0.06   0.05
    13   6    -0.00  -0.01   0.01    -0.00   0.01   0.09     0.00   0.02   0.15
    14   1    -0.06   0.00  -0.11     0.44  -0.06  -0.39    -0.07   0.02   0.77
    15   1     0.01  -0.01  -0.00     0.07  -0.10  -0.11    -0.07   0.15  -0.04
    16   1    -0.01  -0.02  -0.01    -0.07  -0.12  -0.04     0.03   0.11   0.09
    17   1    -0.02   0.01   0.02    -0.14   0.05   0.11     0.03  -0.04  -0.18
    18   8     0.01  -0.00  -0.00     0.04  -0.02  -0.02     0.02  -0.01  -0.03
    19   8    -0.01   0.00  -0.02    -0.02   0.01  -0.08    -0.01   0.00  -0.08
    20   1    -0.03   0.00   0.14    -0.12  -0.01   0.62    -0.08   0.01   0.48
    21   6     0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.14  -0.10   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.07   0.00    -0.03  -0.03   0.00    -0.00   0.01   0.00
    24   8     0.09   0.04  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    25   6    -0.03  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.25   0.00  -0.02     0.06  -0.03  -0.00    -0.01   0.00   0.00
    27   1     0.24   0.20  -0.02    -0.04  -0.01   0.00    -0.01  -0.01   0.00
    28   1     0.07   0.04  -0.01    -0.20   0.02   0.02     0.05  -0.01  -0.00
    29   1     0.10   0.06  -0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.06   0.00    -0.00  -0.02   0.00    -0.00   0.01   0.00
    31   1     0.10   0.06   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1382.2804              1409.2473              1417.2823
 Red. masses --      1.8367                 4.9484                 1.3618
 Frc consts  --      2.0677                 5.7901                 1.6117
 IR Inten    --      7.9560                 3.9000                11.6619
 RamAct Fr= 1--     17.2095               664.3465                55.6995
  Dep-P Fr= 1--      0.2673                 0.2222                 0.1797
  Dep-U Fr= 1--      0.4219                 0.3636                 0.3046
 Alpha2 Fr= 1--      0.1942                 8.5001                 0.7979
 Beta2  Fr= 1--      1.2100                40.2635                 2.8277
 AlphaG Fr= 1--      0.1177                -1.7352                -0.0931
 Gamma2 Fr= 1--      1.1421                -6.3662                -0.6451
 Delta2 Fr= 1--     -0.2784                 1.9109                 0.0562
 Raman1 Fr= 1--      68.838               2657.386                222.798
 ROA1   Fr= 1--     100.737               -550.004                -60.131
 CID1   Fr= 1--       1.463                 -0.207                 -0.270
 Raman2 Fr= 1--      14.520                483.161                 33.933
 ROA2   Fr= 1--      29.638               -168.075                -15.932
 CID2   Fr= 1--       2.041                 -0.348                 -0.470
 Raman3 Fr= 1--      29.039                966.323                 67.866
 ROA3   Fr= 1--     100.737               -550.004                -60.131
 CID3   Fr= 1--       3.469                 -0.569                 -0.886
 RC180  Fr= 1--      -0.156                 -0.273                 -0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.00     0.09   0.28  -0.00    -0.00  -0.05  -0.00
     2   6     0.07   0.00  -0.01    -0.08  -0.28   0.00     0.01   0.05   0.00
     3   6    -0.09  -0.04   0.01    -0.16   0.06   0.02    -0.01   0.01   0.00
     4   6    -0.01   0.08   0.00     0.12  -0.18  -0.01    -0.00   0.01  -0.00
     5   6     0.01   0.04   0.00     0.17   0.10  -0.01     0.01  -0.01  -0.00
     6   6     0.06  -0.05  -0.01    -0.19   0.04   0.02    -0.01  -0.01   0.00
     7   6     0.06  -0.07  -0.01     0.03  -0.06  -0.00    -0.04   0.00   0.00
     8   1     0.24  -0.15  -0.02    -0.12   0.06   0.01     0.13  -0.03  -0.01
     9   1    -0.36  -0.30   0.02    -0.01  -0.08  -0.01     0.02   0.00  -0.01
    10   1    -0.33   0.07   0.03    -0.04  -0.02   0.01     0.11  -0.05  -0.01
    11   6     0.05  -0.02  -0.01    -0.08   0.01   0.01     0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05  -0.04  -0.11
    13   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01   0.00   0.01
    14   1    -0.31   0.02   0.04     0.40  -0.03  -0.04    -0.03   0.01   0.03
    15   1    -0.01   0.04   0.07     0.01   0.12   0.21     0.00   0.20   0.54
    16   1    -0.01   0.06   0.04    -0.20   0.04   0.12    -0.40   0.26   0.33
    17   1     0.01  -0.02   0.06    -0.19  -0.00   0.16    -0.23  -0.05   0.45
    18   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    19   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    20   1     0.01   0.00  -0.02    -0.00   0.01   0.01    -0.00  -0.00   0.02
    21   6     0.02   0.03  -0.00    -0.05  -0.05   0.00     0.03   0.03  -0.00
    22   6    -0.05   0.12   0.01    -0.00   0.07   0.00     0.04  -0.05  -0.00
    23   6    -0.07  -0.06   0.00     0.07   0.02  -0.01    -0.03   0.02   0.00
    24   8     0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    25   6    -0.02  -0.00   0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
    26   1    -0.27   0.03   0.02     0.35  -0.16  -0.03    -0.03  -0.00   0.00
    27   1    -0.33  -0.31   0.02     0.01   0.01  -0.00    -0.01  -0.01   0.00
    28   1     0.25  -0.17  -0.03     0.34  -0.06  -0.03     0.01   0.01  -0.00
    29   1     0.08   0.03   0.01     0.03   0.01   0.00    -0.04  -0.03   0.01
    30   1    -0.02   0.01   0.00    -0.00   0.03   0.00     0.01  -0.03  -0.00
    31   1     0.07   0.03  -0.03     0.02   0.01  -0.01    -0.04  -0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1425.7671              1457.1558              1476.5356
 Red. masses --      2.9438                 3.4638                 1.2342
 Frc consts  --      3.5258                 4.3332                 1.5854
 IR Inten    --     72.5546                12.1027                 6.9391
 RamAct Fr= 1--     60.4654               134.7554                12.5930
  Dep-P Fr= 1--      0.1929                 0.2684                 0.5820
  Dep-U Fr= 1--      0.3235                 0.4232                 0.7358
 Alpha2 Fr= 1--      0.8366                 1.5160                 0.0396
 Beta2  Fr= 1--      3.2597                 9.5054                 1.5443
 AlphaG Fr= 1--      0.0400                 0.3345                -0.0170
 Gamma2 Fr= 1--     -0.1432                -1.0875                -1.9406
 Delta2 Fr= 1--     -3.3845                 0.6720                -0.6641
 Raman1 Fr= 1--     241.861                539.022                 50.372
 ROA1   Fr= 1--    -122.052                -82.899               -207.545
 CID1   Fr= 1--      -0.505                 -0.154                 -4.120
 Raman2 Fr= 1--      39.117                114.065                 18.531
 ROA2   Fr= 1--      23.639                -31.477                -41.261
 CID2   Fr= 1--       0.604                 -0.276                 -2.227
 Raman3 Fr= 1--      78.233                228.129                 37.062
 ROA3   Fr= 1--    -122.052                -82.899               -207.545
 CID3   Fr= 1--      -1.560                 -0.363                 -5.600
 RC180  Fr= 1--      -0.353                 -0.154                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.17   0.00  -0.01    -0.02  -0.00   0.00
     2   6     0.03   0.08  -0.00    -0.17  -0.01   0.01     0.00   0.02   0.00
     3   6    -0.11   0.06   0.01    -0.10  -0.06   0.01    -0.02   0.01   0.00
     4   6     0.08  -0.02  -0.01    -0.06   0.18   0.01     0.03   0.01  -0.00
     5   6     0.12   0.05  -0.01     0.11  -0.04  -0.01     0.01  -0.02  -0.00
     6   6    -0.12  -0.06   0.01    -0.08  -0.01   0.01    -0.04   0.01   0.00
     7   6    -0.13  -0.03   0.01     0.12   0.03  -0.01     0.01  -0.03  -0.00
     8   1     0.44  -0.11  -0.04     0.34  -0.21  -0.03     0.09  -0.02  -0.01
     9   1    -0.14  -0.21   0.01    -0.09  -0.24   0.00     0.08   0.04  -0.01
    10   1     0.24  -0.18  -0.02     0.12  -0.09  -0.01     0.14  -0.05  -0.01
    11   6    -0.03  -0.01   0.01     0.06  -0.04  -0.01    -0.01  -0.00   0.00
    12   6    -0.02   0.02   0.06    -0.01   0.00   0.01     0.00   0.00   0.00
    13   6     0.01  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.01  -0.01  -0.02    -0.39   0.01   0.03    -0.02  -0.00   0.00
    15   1    -0.01  -0.07  -0.29     0.00  -0.06  -0.02     0.01  -0.01   0.03
    16   1     0.21  -0.16  -0.18     0.03   0.05   0.01    -0.03  -0.06  -0.01
    17   1     0.07   0.03  -0.26     0.09  -0.01   0.02    -0.02   0.01  -0.05
    18   8    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.01   0.01  -0.04     0.01   0.01  -0.01    -0.00   0.00   0.00
    21   6     0.13   0.09  -0.01    -0.15   0.02   0.01     0.04   0.04  -0.00
    22   6     0.13  -0.11  -0.01     0.01  -0.15  -0.00     0.01  -0.02  -0.00
    23   6    -0.13   0.08   0.01     0.13   0.03  -0.01     0.03  -0.01  -0.00
    24   8    -0.05  -0.01   0.00    -0.00   0.04   0.00    -0.03  -0.02   0.00
    25   6     0.03   0.03  -0.00     0.03  -0.00  -0.00    -0.04  -0.09   0.00
    26   1     0.03  -0.10  -0.01    -0.14   0.13   0.01    -0.12   0.01   0.01
    27   1    -0.09  -0.13   0.00     0.07   0.25   0.00    -0.10  -0.09   0.01
    28   1     0.28  -0.03  -0.02    -0.38   0.20   0.04    -0.15   0.05   0.01
    29   1    -0.13  -0.13   0.04    -0.14   0.03  -0.06     0.28   0.40  -0.18
    30   1     0.01  -0.12  -0.00     0.02  -0.12  -0.00     0.03   0.57   0.01
    31   1    -0.14  -0.13  -0.02    -0.13   0.02   0.09     0.31   0.39   0.14
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1591              1493.3446              1497.8078
 Red. masses --      1.0516                 1.0460                 1.0545
 Frc consts  --      1.3795                 1.3744                 1.3938
 IR Inten    --      8.6376                 8.7664                 7.7006
 RamAct Fr= 1--      4.7004                 8.4318                 5.2294
  Dep-P Fr= 1--      0.7380                 0.7462                 0.6603
  Dep-U Fr= 1--      0.8493                 0.8547                 0.7954
 Alpha2 Fr= 1--      0.0010                 0.0005                 0.0084
 Beta2  Fr= 1--      0.6653                 1.2011                 0.6933
 AlphaG Fr= 1--     -0.0004                -0.0226                 0.0620
 Gamma2 Fr= 1--      2.9528                 0.5158                 1.8316
 Delta2 Fr= 1--      0.0986                -0.0124                 1.9127
 Raman1 Fr= 1--      18.802                 33.727                 20.918
 ROA1   Fr= 1--     286.624                 49.117                237.045
 CID1   Fr= 1--      15.245                  1.456                 11.332
 Raman2 Fr= 1--       7.984                 14.413                  8.319
 ROA2   Fr= 1--      70.078                 12.478                 28.658
 CID2   Fr= 1--       8.778                  0.866                  3.445
 Raman3 Fr= 1--      15.967                 28.826                 16.638
 ROA3   Fr= 1--     286.624                 49.117                237.045
 CID3   Fr= 1--      17.951                  1.704                 14.247
 RC180  Fr= 1--       0.699                  0.709                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
     8   1    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
     9   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    10   1    -0.03   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.01  -0.02
    12   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.04   0.02  -0.02
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.04  -0.02  -0.06     0.00  -0.00  -0.00     0.04   0.00   0.04
    15   1    -0.10   0.26  -0.43    -0.00   0.00  -0.00     0.13  -0.61  -0.02
    16   1     0.46   0.52  -0.00     0.00   0.00  -0.00    -0.17   0.28   0.22
    17   1     0.02  -0.06   0.49    -0.00  -0.00   0.00     0.65  -0.05   0.14
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    22   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    24   8    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.01   0.00  -0.06    -0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.02  -0.01  -0.00
    27   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   1     0.00   0.00   0.00    -0.00   0.00  -0.03     0.02  -0.01  -0.00
    29   1     0.02   0.05  -0.02     0.48   0.11   0.03     0.02   0.00   0.00
    30   1     0.00   0.06  -0.00     0.06  -0.01   0.72     0.00   0.03   0.00
    31   1     0.03   0.05   0.02    -0.46  -0.11   0.11     0.02   0.00  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.2828              1525.5170              1546.3047
 Red. masses --      1.0645                 2.3856                 3.4774
 Frc consts  --      1.4230                 3.2710                 4.8989
 IR Inten    --     35.7912                47.3994                33.5843
 RamAct Fr= 1--      1.8254               134.0478                 0.5945
  Dep-P Fr= 1--      0.7093                 0.2527                 0.7474
  Dep-U Fr= 1--      0.8299                 0.4035                 0.8554
 Alpha2 Fr= 1--      0.0013                 1.5766                 0.0000
 Beta2  Fr= 1--      0.2525                 9.0141                 0.0848
 AlphaG Fr= 1--     -0.0026                -0.1298                -0.0018
 Gamma2 Fr= 1--     -0.3314                -1.8170                -0.8039
 Delta2 Fr= 1--     -0.1367                 1.2734                 0.0787
 Raman1 Fr= 1--       7.302                536.191                  2.378
 ROA1   Fr= 1--     -36.190               -133.686                -74.656
 CID1   Fr= 1--      -4.956                 -0.249                -31.395
 Raman2 Fr= 1--       3.030                108.169                  1.017
 ROA2   Fr= 1--      -6.860                -53.796                -19.924
 CID2   Fr= 1--      -2.264                 -0.497                -19.589
 Raman3 Fr= 1--       6.060                216.339                  2.034
 ROA3   Fr= 1--     -36.190               -133.686                -74.656
 CID3   Fr= 1--      -5.972                 -0.618                -36.700
 RC180  Fr= 1--       0.660                 -0.193                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00     0.09  -0.02  -0.01     0.13  -0.04  -0.01
     2   6     0.00  -0.00  -0.00    -0.10   0.03   0.01     0.14  -0.06  -0.01
     3   6     0.01   0.01  -0.00     0.06  -0.04  -0.01    -0.06  -0.05   0.00
     4   6     0.00  -0.02  -0.00    -0.12  -0.01   0.01     0.03   0.18   0.00
     5   6    -0.00   0.01   0.00     0.06   0.09  -0.00    -0.05  -0.15   0.00
     6   6     0.02  -0.01  -0.00     0.10  -0.07  -0.01    -0.12   0.11   0.01
     7   6     0.00  -0.01  -0.00    -0.11   0.06   0.01    -0.12   0.10   0.01
     8   1    -0.03   0.02   0.00    -0.20   0.03   0.02     0.18  -0.13  -0.02
     9   1    -0.02  -0.00   0.00    -0.34  -0.26   0.02     0.33   0.18  -0.03
    10   1    -0.04   0.01   0.00    -0.36   0.06   0.03     0.40  -0.05  -0.03
    11   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.01  -0.03   0.00
    12   6    -0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    14   1     0.03   0.00   0.00     0.00   0.01   0.01    -0.19  -0.00   0.00
    15   1     0.01  -0.02   0.01     0.01   0.01   0.09    -0.01   0.02  -0.04
    16   1    -0.01  -0.00   0.01    -0.06  -0.09  -0.01     0.04   0.03  -0.01
    17   1     0.02  -0.00  -0.01    -0.04   0.01  -0.08    -0.01  -0.00   0.04
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00   0.01  -0.00
    21   6     0.01   0.01  -0.00    -0.04  -0.08   0.00    -0.03  -0.15  -0.00
    22   6    -0.01   0.00   0.00     0.15   0.02  -0.01     0.04   0.19   0.00
    23   6    -0.01   0.00   0.00    -0.06   0.04   0.01    -0.08  -0.05   0.01
    24   8     0.02  -0.01  -0.00    -0.05  -0.02   0.00    -0.00  -0.03  -0.00
    25   6     0.04  -0.03  -0.00    -0.02  -0.03   0.00    -0.01  -0.01   0.00
    26   1    -0.02  -0.00   0.00     0.35  -0.08  -0.03     0.40  -0.06  -0.03
    27   1    -0.03  -0.03   0.00     0.28   0.21  -0.02     0.27   0.12  -0.02
    28   1     0.04  -0.01  -0.00     0.22  -0.04  -0.02     0.24  -0.15  -0.02
    29   1    -0.39   0.40  -0.34     0.13   0.18  -0.08    -0.03   0.13  -0.08
    30   1    -0.01  -0.37  -0.01     0.01   0.26   0.01    -0.02  -0.04   0.00
    31   1    -0.32   0.39   0.42     0.14   0.18   0.07    -0.01   0.12   0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1617.0717              1653.5329              1672.9576
 Red. masses --      7.0756                 5.6241                 6.1891
 Frc consts  --     10.9012                 9.0601                10.2057
 IR Inten    --      3.6891               116.7881                58.2518
 RamAct Fr= 1--     46.9585                 5.2719               192.7684
  Dep-P Fr= 1--      0.2317                 0.3728                 0.4272
  Dep-U Fr= 1--      0.3762                 0.5431                 0.5986
 Alpha2 Fr= 1--      0.5855                 0.0429                 1.2920
 Beta2  Fr= 1--      2.9446                 0.4772                19.2325
 AlphaG Fr= 1--     -0.4156                -0.0457                -0.4335
 Gamma2 Fr= 1--      0.6537                 0.0664                 0.5237
 Delta2 Fr= 1--      0.5937                 1.6863                -2.5045
 Raman1 Fr= 1--     187.834                 21.088                771.073
 ROA1   Fr= 1--      81.750                 60.340                -29.873
 CID1   Fr= 1--       0.435                  2.861                 -0.039
 Raman2 Fr= 1--      35.335                  5.727                230.790
 ROA2   Fr= 1--      10.938                -11.896                 32.604
 CID2   Fr= 1--       0.310                 -2.077                  0.141
 Raman3 Fr= 1--      70.669                 11.454                461.579
 ROA3   Fr= 1--      81.750                 60.340                -29.873
 CID3   Fr= 1--       1.157                  5.268                 -0.065
 RC180  Fr= 1--      -0.248                  0.086                  0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.29  -0.00    -0.02  -0.01   0.00    -0.25   0.04   0.02
     2   6     0.04   0.29   0.00    -0.01  -0.01   0.00     0.24  -0.04  -0.02
     3   6    -0.12   0.16   0.01     0.21  -0.11  -0.02     0.22  -0.08  -0.02
     4   6     0.06  -0.22  -0.01    -0.20   0.10   0.02    -0.15   0.06   0.01
     5   6     0.16   0.16  -0.01     0.21   0.06  -0.02     0.18   0.06  -0.01
     6   6    -0.12  -0.10   0.01    -0.21  -0.00   0.02    -0.24   0.03   0.02
     7   6     0.11   0.11  -0.01    -0.23  -0.00   0.02     0.25  -0.03  -0.02
     8   1     0.32   0.03  -0.02    -0.31   0.04   0.03    -0.31   0.08   0.03
     9   1    -0.18  -0.16   0.01    -0.17  -0.31   0.01    -0.11  -0.23   0.00
    10   1     0.12  -0.19  -0.01     0.16  -0.13  -0.02     0.27  -0.14  -0.03
    11   6    -0.02   0.02   0.00     0.04  -0.01  -0.01     0.02  -0.01  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    14   1     0.15  -0.00  -0.00    -0.09   0.00   0.01    -0.05  -0.00   0.01
    15   1     0.00  -0.01   0.01     0.00   0.01   0.02     0.00   0.01   0.01
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    17   1     0.02  -0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01     0.01  -0.00  -0.02     0.01  -0.01  -0.03
    21   6    -0.17  -0.19   0.01     0.23   0.06  -0.02    -0.19  -0.05   0.01
    22   6    -0.08   0.27   0.01    -0.20   0.10   0.02     0.13  -0.06  -0.01
    23   6     0.12  -0.18  -0.01     0.20  -0.10  -0.02    -0.20   0.07   0.02
    24   8     0.03  -0.01  -0.00     0.03  -0.01  -0.00    -0.01   0.01   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
    26   1    -0.06   0.18   0.01     0.19  -0.15  -0.02    -0.29   0.15   0.03
    27   1     0.17   0.15  -0.01    -0.14  -0.32   0.00     0.07   0.21  -0.00
    28   1    -0.35  -0.05   0.03    -0.31   0.04   0.03     0.30  -0.08  -0.03
    29   1     0.01   0.01   0.00    -0.04  -0.06   0.03     0.02   0.05  -0.03
    30   1    -0.02  -0.06   0.00    -0.00  -0.10  -0.00    -0.00   0.05   0.00
    31   1     0.01   0.01  -0.00    -0.05  -0.06  -0.03     0.02   0.04   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0684              3011.2361              3015.4759
 Red. masses --     10.3678                 1.0345                 1.0817
 Frc consts  --     20.6376                 5.5267                 5.7951
 IR Inten    --    424.6515                47.0488                 9.3205
 RamAct Fr= 1--     30.6517               196.1101                66.6070
  Dep-P Fr= 1--      0.2933                 0.0545                 0.1439
  Dep-U Fr= 1--      0.4536                 0.1034                 0.2516
 Alpha2 Fr= 1--      0.3207                 3.8324                 1.0456
 Beta2  Fr= 1--      2.3171                 3.3787                 2.7935
 AlphaG Fr= 1--     -0.9242                 0.1846                 0.2553
 Gamma2 Fr= 1--     -4.5983                 0.4320                -0.4945
 Delta2 Fr= 1--     -0.5502                -0.4601                -0.0335
 Raman1 Fr= 1--     122.607                784.440                266.428
 ROA1   Fr= 1--    -459.042                 26.746                -48.547
 CID1   Fr= 1--      -3.744                  0.034                 -0.182
 Raman2 Fr= 1--      27.805                 40.545                 33.522
 ROA2   Fr= 1--    -105.957                 14.048                -11.601
 CID2   Fr= 1--      -3.811                  0.346                 -0.346
 Raman3 Fr= 1--      55.611                 81.089                 67.043
 ROA3   Fr= 1--    -459.042                 26.746                -48.547
 CID3   Fr= 1--      -8.255                  0.330                 -0.724
 RC180  Fr= 1--      -0.093                 -0.793                 -0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
     9   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.04   0.02  -0.01    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    12   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
    13   6     0.68  -0.29   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   1    -0.03   0.00  -0.06     0.00   0.01   0.00     0.10   0.99   0.02
    15   1     0.03  -0.03   0.05     0.00   0.00   0.00    -0.02  -0.00  -0.00
    16   1    -0.08   0.04   0.08    -0.00   0.00  -0.00     0.02  -0.01   0.02
    17   1     0.02  -0.02   0.04    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    18   8    -0.43   0.18   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.04   0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.06  -0.01   0.45    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00    -0.15   0.31   0.58     0.00  -0.00  -0.01
    30   1    -0.00  -0.00   0.00     0.29  -0.03  -0.03    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.24   0.33  -0.53     0.00  -0.00   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.2206              3067.8399              3117.2994
 Red. masses --      1.0350                 1.1058                 1.1025
 Frc consts  --      5.6846                 6.1318                 6.3125
 IR Inten    --     16.5389                32.8522                15.5769
 RamAct Fr= 1--    179.1925                43.8725                32.9868
  Dep-P Fr= 1--      0.0243                 0.7499                 0.7420
  Dep-U Fr= 1--      0.0474                 0.8571                 0.8519
 Alpha2 Fr= 1--      3.7618                 0.0001                 0.0045
 Beta2  Fr= 1--      1.4160                 6.2671                 4.6837
 AlphaG Fr= 1--     -0.1821                 0.0497                 0.0084
 Gamma2 Fr= 1--      0.7429                 0.7148                -2.7931
 Delta2 Fr= 1--      3.4209                 1.0523                 1.2322
 Raman1 Fr= 1--     716.770                175.490                131.947
 ROA1   Fr= 1--     180.782                102.299               -228.709
 CID1   Fr= 1--       0.252                  0.583                 -1.733
 Raman2 Fr= 1--      16.992                 75.205                 56.204
 ROA2   Fr= 1--      -9.538                  8.738                -76.892
 CID2   Fr= 1--      -0.561                  0.116                 -1.368
 Raman3 Fr= 1--      33.984                150.410                112.408
 ROA3   Fr= 1--     180.782                102.299               -228.709
 CID3   Fr= 1--       5.320                  0.680                 -2.035
 RC180  Fr= 1--      -0.905                  0.714                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6     0.01  -0.02  -0.05     0.00  -0.00  -0.00     0.02  -0.08   0.04
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.02  -0.00     0.00   0.00   0.00     0.01   0.08   0.00
    15   1    -0.46  -0.12   0.01    -0.00  -0.00   0.00     0.01  -0.02   0.01
    16   1     0.31  -0.27   0.50     0.00  -0.00   0.00    -0.32   0.26  -0.52
    17   1     0.05   0.59   0.03     0.00   0.00   0.00     0.06   0.73   0.06
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.09    -0.00   0.00   0.00
    26   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00    -0.17   0.34   0.59     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.02     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.27  -0.36   0.54    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.0637              3140.1022              3153.6382
 Red. masses --      1.1020                 1.0993                 1.0896
 Frc consts  --      6.3692                 6.3865                 6.3847
 IR Inten    --     16.6919                23.1130                10.5902
 RamAct Fr= 1--    150.9161               168.5562                58.4523
  Dep-P Fr= 1--      0.4995                 0.4016                 0.2632
  Dep-U Fr= 1--      0.6662                 0.5730                 0.4167
 Alpha2 Fr= 1--      0.7469                 1.2416                 0.6675
 Beta2  Fr= 1--     16.7576                16.0974                 4.0593
 AlphaG Fr= 1--      0.1232                -0.0939                 0.0841
 Gamma2 Fr= 1--     -0.1027                -0.5128                 0.9124
 Delta2 Fr= 1--     -5.8192                -0.3407                -0.5368
 Raman1 Fr= 1--     603.664                674.225                233.809
 ROA1   Fr= 1--    -196.071                -60.127                 70.414
 CID1   Fr= 1--      -0.325                 -0.089                  0.301
 Raman2 Fr= 1--     201.092                193.169                 48.712
 ROA2   Fr= 1--      44.090                 -9.580                 26.192
 CID2   Fr= 1--       0.219                 -0.050                  0.538
 Raman3 Fr= 1--     402.183                386.338                 97.424
 ROA3   Fr= 1--    -196.071                -60.127                 70.414
 CID3   Fr= 1--      -0.488                 -0.156                  0.723
 RC180  Fr= 1--       0.332                  0.146                 -0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.08   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.30   0.95  -0.01
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.08  -0.03  -0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.00   0.03   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    15   1     0.85   0.21  -0.03    -0.00  -0.00   0.00     0.01   0.00  -0.00
    16   1     0.16  -0.16   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.31   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00   0.00   0.00    -0.09   0.02   0.01     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.00
    27   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    28   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
    29   1     0.00  -0.00  -0.00     0.03  -0.08  -0.17    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.95  -0.10  -0.08    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.06  -0.09   0.16    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3166.0386              3172.5900              3183.4623
 Red. masses --      1.0864                 1.0883                 1.0946
 Frc consts  --      6.4164                 6.4537                 6.5358
 IR Inten    --      3.8297                 7.9899                 9.7452
 RamAct Fr= 1--     49.3078                78.3471               132.3785
  Dep-P Fr= 1--      0.7292                 0.5183                 0.1601
  Dep-U Fr= 1--      0.8434                 0.6827                 0.2760
 Alpha2 Fr= 1--      0.0175                 0.3542                 1.9946
 Beta2  Fr= 1--      6.9313                 8.9152                 6.0888
 AlphaG Fr= 1--      0.0245                -0.0220                -0.3293
 Gamma2 Fr= 1--      0.1019                -1.0104                 1.2121
 Delta2 Fr= 1--     -1.0396                 0.2429                 3.0786
 Raman1 Fr= 1--     197.231                313.388                529.514
 ROA1   Fr= 1--     -23.485                -89.227                214.875
 CID1   Fr= 1--      -0.119                 -0.285                  0.406
 Raman2 Fr= 1--      83.175                106.982                 73.066
 ROA2   Fr= 1--      10.762                -26.192                  4.462
 CID2   Fr= 1--       0.129                 -0.245                  0.061
 Raman3 Fr= 1--     166.350                213.964                146.132
 ROA3   Fr= 1--     -23.485                -89.227                214.875
 CID3   Fr= 1--      -0.141                 -0.417                  1.470
 RC180  Fr= 1--       0.687                  0.365                 -0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03   0.04   0.00     0.00  -0.00  -0.00     0.05  -0.05  -0.00
     6   6    -0.02  -0.06   0.00    -0.00   0.00   0.00    -0.02  -0.05   0.00
     7   6    -0.00  -0.00   0.00    -0.02  -0.08   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.03   0.00     0.03   0.08  -0.00    -0.01  -0.03   0.00
     9   1     0.41  -0.45  -0.04    -0.01   0.02   0.00    -0.53   0.58   0.05
    10   1     0.23   0.75  -0.01    -0.00  -0.01   0.00     0.18   0.58  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    17   1    -0.00  -0.03  -0.00     0.00   0.00   0.00     0.00   0.03   0.00
    18   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00     0.28   0.90  -0.00    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00     0.21  -0.23  -0.02    -0.01   0.01   0.00
    28   1    -0.01  -0.03  -0.00     0.01   0.02  -0.00    -0.01  -0.04  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3199.8583              3206.0767              3707.8465
 Red. masses --      1.0937                 1.0893                 1.0652
 Frc consts  --      6.5981                 6.5969                 8.6286
 IR Inten    --      5.2887                 8.4050               132.4937
 RamAct Fr= 1--    197.5649                77.6841               150.6494
  Dep-P Fr= 1--      0.2166                 0.2570                 0.2303
  Dep-U Fr= 1--      0.3561                 0.4090                 0.3744
 Alpha2 Fr= 1--      2.5664                 0.9027                 1.8856
 Beta2  Fr= 1--     11.7254                 5.2950                 9.3995
 AlphaG Fr= 1--     -0.1359                 0.0104                -3.0963
 Gamma2 Fr= 1--     -1.1266                 0.2304               -31.5845
 Delta2 Fr= 1--     -0.5850                 0.0223                -2.7725
 Raman1 Fr= 1--     790.260                310.736                602.598
 ROA1   Fr= 1--    -126.877                 22.837              -3120.830
 CID1   Fr= 1--      -0.161                  0.073                 -5.179
 Raman2 Fr= 1--     140.705                 63.540                112.795
 ROA2   Fr= 1--     -22.360                  5.352               -735.847
 CID2   Fr= 1--      -0.159                  0.084                 -6.524
 Raman3 Fr= 1--     281.410                127.079                225.589
 ROA3   Fr= 1--    -126.877                 22.837              -3120.830
 CID3   Fr= 1--      -0.451                  0.180                -13.834
 RC180  Fr= 1--      -0.288                 -0.182                 -0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.01  -0.03   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00     0.01   0.05  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.94  -0.32   0.12
    21   6     0.06  -0.06  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00   0.00    -0.02  -0.08   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.09   0.29  -0.00    -0.01  -0.02   0.00    -0.00  -0.00  -0.00
    27   1    -0.65   0.68   0.07    -0.01   0.01   0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01  -0.00     0.29   0.95  -0.00     0.00   0.00  -0.00
    29   1     0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1299.412138870.282849172.11716
           X            0.99989   0.00987  -0.01143
           Y           -0.00975   0.99990   0.01032
           Z            0.01153  -0.01020   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06666     0.00976     0.00944
 Rotational constants (GHZ):           1.38889     0.20346     0.19676
 Zero-point vibrational energy     658088.0 (Joules/Mol)
                                  157.28681 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     41.14    58.99    65.48   138.36   183.39
          (Kelvin)            200.12   270.18   301.59   306.82   316.68
                              347.02   409.61   433.12   550.71   576.29
                              594.82   653.13   702.38   716.93   753.01
                              767.25   778.67   835.77   867.34   923.41
                              981.87   999.95  1077.16  1124.44  1138.66
                             1171.81  1191.25  1200.75  1248.85  1271.29
                             1316.63  1365.58  1386.24  1402.42  1413.32
                             1456.96  1527.82  1566.87  1588.32  1656.51
                             1689.18  1691.96  1703.22  1715.46  1733.82
                             1762.07  1824.73  1846.27  1869.82  1871.47
                             1885.16  1928.83  1988.79  2027.59  2039.15
                             2051.36  2096.52  2124.41  2146.88  2148.59
                             2155.01  2167.20  2194.88  2224.79  2326.61
                             2379.07  2407.01  2644.57  4332.50  4338.60
                             4392.90  4413.94  4485.10  4506.34  4517.91
                             4537.38  4555.22  4564.65  4580.29  4603.88
                             4612.83  5334.76
 
 Zero-point correction=                           0.250652 (Hartree/Particle)
 Thermal correction to Energy=                    0.265855
 Thermal correction to Enthalpy=                  0.266799
 Thermal correction to Gibbs Free Energy=         0.207181
 Sum of electronic and zero-point Energies=           -767.722802
 Sum of electronic and thermal Energies=              -767.707600
 Sum of electronic and thermal Enthalpies=            -767.706655
 Sum of electronic and thermal Free Energies=         -767.766273
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.827             58.664            125.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.025
 Vibrational            165.049             52.702             50.250
 Vibration     1          0.593              1.984              5.925
 Vibration     2          0.594              1.981              5.210
 Vibration     3          0.595              1.979              5.004
 Vibration     4          0.603              1.952              3.531
 Vibration     5          0.611              1.926              2.984
 Vibration     6          0.615              1.914              2.816
 Vibration     7          0.632              1.857              2.250
 Vibration     8          0.642              1.826              2.047
 Vibration     9          0.644              1.821              2.016
 Vibration    10          0.647              1.810              1.958
 Vibration    11          0.658              1.777              1.794
 Vibration    12          0.683              1.702              1.505
 Vibration    13          0.693              1.672              1.411
 Vibration    14          0.752              1.507              1.028
 Vibration    15          0.766              1.469              0.961
 Vibration    16          0.777              1.441              0.915
 Vibration    17          0.812              1.352              0.784
 Vibration    18          0.844              1.276              0.688
 Vibration    19          0.854              1.254              0.662
 Vibration    20          0.878              1.198              0.602
 Vibration    21          0.888              1.176              0.580
 Vibration    22          0.896              1.159              0.563
 Vibration    23          0.938              1.073              0.484
 Vibration    24          0.961              1.026              0.445
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.504987D-95        -95.296720       -219.428806
 Total V=0       0.989286D+20         19.995322         46.040930
 Vib (Bot)       0.100010-109       -109.999955       -253.284256
 Vib (Bot)    1  0.724191D+01          0.859853          1.979884
 Vib (Bot)    2  0.504641D+01          0.702983          1.618677
 Vib (Bot)    3  0.454439D+01          0.657475          1.513893
 Vib (Bot)    4  0.213572D+01          0.329544          0.758803
 Vib (Bot)    5  0.160045D+01          0.204242          0.470286
 Vib (Bot)    6  0.146229D+01          0.165033          0.380003
 Vib (Bot)    7  0.106666D+01          0.028028          0.064537
 Vib (Bot)    8  0.947684D+00         -0.023336         -0.053734
 Vib (Bot)    9  0.930160D+00         -0.031443         -0.072399
 Vib (Bot)   10  0.898644D+00         -0.046412         -0.106868
 Vib (Bot)   11  0.812528D+00         -0.090162         -0.207605
 Vib (Bot)   12  0.673654D+00         -0.171563         -0.395038
 Vib (Bot)   13  0.631378D+00         -0.199710         -0.459850
 Vib (Bot)   14  0.471456D+00         -0.326559         -0.751930
 Vib (Bot)   15  0.444813D+00         -0.351822         -0.810101
 Vib (Bot)   16  0.426848D+00         -0.369727         -0.851327
 Vib (Bot)   17  0.376552D+00         -0.424174         -0.976698
 Vib (Bot)   18  0.340180D+00         -0.468292         -1.078281
 Vib (Bot)   19  0.330333D+00         -0.481048         -1.107653
 Vib (Bot)   20  0.307459D+00         -0.512213         -1.179415
 Vib (Bot)   21  0.298990D+00         -0.524343         -1.207345
 Vib (Bot)   22  0.292414D+00         -0.534002         -1.229584
 Vib (Bot)   23  0.262091D+00         -0.581548         -1.339063
 Vib (Bot)   24  0.246975D+00         -0.607347         -1.398468
 Vib (V=0)       0.195924D+06          5.292087         12.185480
 Vib (V=0)    1  0.775915D+01          0.889814          2.048872
 Vib (V=0)    2  0.557112D+01          0.745943          1.717596
 Vib (V=0)    3  0.507181D+01          0.705163          1.623698
 Vib (V=0)    4  0.269347D+01          0.430312          0.990829
 Vib (V=0)    5  0.217674D+01          0.337806          0.777827
 Vib (V=0)    6  0.204541D+01          0.310780          0.715598
 Vib (V=0)    7  0.167804D+01          0.224802          0.517625
 Vib (V=0)    8  0.157150D+01          0.196314          0.452029
 Vib (V=0)    9  0.155603D+01          0.192018          0.442137
 Vib (V=0)   10  0.152838D+01          0.184231          0.424207
 Vib (V=0)   11  0.145404D+01          0.162578          0.374349
 Vib (V=0)   12  0.133893D+01          0.126759          0.291874
 Vib (V=0)   13  0.130538D+01          0.115737          0.266495
 Vib (V=0)   14  0.118722D+01          0.074531          0.171614
 Vib (V=0)   15  0.116922D+01          0.067897          0.156339
 Vib (V=0)   16  0.115742D+01          0.063491          0.146192
 Vib (V=0)   17  0.112593D+01          0.051512          0.118612
 Vib (V=0)   18  0.110475D+01          0.043264          0.099619
 Vib (V=0)   19  0.109927D+01          0.041103          0.094643
 Vib (V=0)   20  0.108697D+01          0.036217          0.083392
 Vib (V=0)   21  0.108258D+01          0.034458          0.079344
 Vib (V=0)   22  0.107923D+01          0.033114          0.076247
 Vib (V=0)   23  0.106453D+01          0.027157          0.062531
 Vib (V=0)   24  0.105767D+01          0.024351          0.056069
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.368063D+07          6.565923         15.118595
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3           3333333333333                              111111111111111111111111111111111                                        
     7           2211111110000                              866655544444444333332222111111000999998888877766665555444443322222111    
     0           0087654316511                              3751420999752108410086209877508618764186321984984084329851080842118329442
     8           6033640278351                              8347666832776792101038552464149232539548584129522311338843131510308976619
 
     X           XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXX
     X                    X  X                              XXX XXX     X   XXXXXXXX  X    X      X           X                      
     X                                                      XXX         X   XXXX XX        X                  X                      
     X                                                      X X             XXX  X                                                   
     X                                                      X X             XXX                                                      
     X                                                      X X             XX                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000337   -0.000000230    0.000000335
      2        6           0.000000126   -0.000000829   -0.000000408
      3        6          -0.000000338   -0.000002850   -0.000001340
      4        6          -0.000000405    0.000006186   -0.000001624
      5        6          -0.000000071   -0.000002378    0.000000403
      6        6           0.000000532   -0.000000032    0.000000343
      7        6          -0.000000966   -0.000000368   -0.000000839
      8        1          -0.000000105    0.000000407    0.000000498
      9        1           0.000000512    0.000000551   -0.000000024
     10        1           0.000000641    0.000001043    0.000000213
     11        6          -0.000002964   -0.000002527    0.000008114
     12        6          -0.000003050   -0.000001811   -0.000002639
     13        6           0.000006032    0.000002259   -0.000013425
     14        1           0.000001803    0.000000799    0.000000386
     15        1           0.000000234    0.000000900   -0.000000225
     16        1           0.000000817    0.000000267    0.000000771
     17        1           0.000001580   -0.000000032    0.000001236
     18        8          -0.000005136    0.000001087    0.000002887
     19        8          -0.000002103   -0.000000020    0.000009654
     20        1           0.000000498   -0.000000705   -0.000001911
     21        6           0.000000649   -0.000000930   -0.000000294
     22        6          -0.000000400    0.000000203    0.000000251
     23        6           0.000001767    0.000001201   -0.000000243
     24        8           0.000000428    0.000001491   -0.000000973
     25        6          -0.000001154   -0.000004218    0.000000231
     26        1          -0.000000035   -0.000000636    0.000000030
     27        1           0.000000034   -0.000000484   -0.000000252
     28        1           0.000001276    0.000000577   -0.000000102
     29        1          -0.000000129    0.000000253   -0.000000163
     30        1          -0.000000263    0.000000199   -0.000000333
     31        1          -0.000000145    0.000000627   -0.000000556
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013425 RMS     0.000002467
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.296082D+03 -0.914783D+01 -0.129695D+02
      2  -0.914783D+01  0.170287D+03  0.210864D+01
      3  -0.129695D+02  0.210864D+01  0.118656D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.295933D+01 -0.246128D+02  0.289702D+01
      2   0.445784D+02  0.775069D+00  0.308796D+02
      3   0.752098D+02  0.664960D+02 -0.253042D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.268856D+03 -0.850644D+02  0.420461D+02
      2   0.843533D+02  0.665614D+02  0.553597D+01
      3   0.184502D+03  0.185030D+02 -0.475821D+02
      4  -0.764794D+02 -0.164502D+03 -0.123273D+01
      5  -0.326172D+02 -0.263158D+01  0.749416D+02
      6  -0.364607D+01 -0.448475D+02 -0.121571D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.321260D+02 -0.206999D+01 -0.200388D+01  0.469867D+02 -0.794298D+01
      2  -0.206999D+01 -0.303258D+00  0.326023D+00 -0.794298D+01  0.852503D+01
      3  -0.200388D+01  0.326023D+00 -0.187009D+00 -0.364684D+01  0.789169D+00
                 6             7             8             9            10 
      1  -0.364684D+01 -0.119190D+01 -0.525579D-01  0.108659D+01 -0.356971D+02
      2   0.789169D+00 -0.525579D-01  0.155204D+00  0.121422D+01  0.284300D+01
      3   0.584256D-01  0.108659D+01  0.121422D+01 -0.730222D-01  0.221833D+01
                11            12            13            14            15 
      1   0.284300D+01  0.221833D+01 -0.468838D+02  0.731880D+01  0.369651D+01
      2  -0.411372D+01 -0.226259D+00  0.731880D+01 -0.684281D+01 -0.830289D+00
      3  -0.226259D+00  0.388050D-01  0.369651D+01 -0.830289D+00  0.394371D-01
                16            17            18            19            20 
      1   0.175815D+01 -0.104469D+00 -0.121734D+01 -0.419323D+02  0.525694D+01
      2  -0.104469D+00  0.254905D+00 -0.960306D+00  0.525694D+01 -0.450528D+01
      3  -0.121734D+01 -0.960306D+00 -0.864915D-02  0.214528D+01 -0.294804D+00
                21            22            23            24            25 
      1   0.214528D+01  0.183942D+02 -0.201026D+01 -0.305349D+00  0.411420D+01
      2  -0.294804D+00 -0.201026D+01  0.355011D+01  0.270676D+00  0.204890D+00
      3  -0.491937D+00 -0.305349D+00  0.270676D+00  0.223353D+01  0.117699D+01
                26            27            28            29            30 
      1   0.204890D+00  0.117699D+01  0.459009D+02 -0.303010D+01 -0.151163D+01
      2   0.268142D+00  0.391028D+01 -0.303010D+01  0.375368D+01  0.294180D+00
      3   0.391028D+01  0.495243D-01 -0.151163D+01  0.294180D+00  0.225420D+01
                31            32            33            34            35 
      1  -0.575791D+01  0.650141D+00  0.175809D+00 -0.777074D+00  0.132991D+00
      2   0.650141D+00 -0.810152D+01 -0.610775D+00  0.132991D+00 -0.100330D+01
      3   0.175809D+00 -0.610775D+00 -0.611072D+00  0.643308D+01 -0.771545D+00
                36            37            38            39            40 
      1   0.643308D+01  0.839391D+01  0.883294D-01 -0.327998D+00 -0.869451D+01
      2  -0.771545D+00  0.883294D-01  0.857079D+01  0.265944D+00  0.203632D+01
      3  -0.994789D+00 -0.327998D+00  0.265944D+00  0.160881D+01  0.236037D-01
                41            42            43            44            45 
      1   0.203632D+01  0.236037D-01 -0.108431D+01 -0.124134D+00  0.437741D+01
      2   0.384379D+01  0.133563D+00 -0.124134D+00 -0.651411D+00 -0.235555D+01
      3   0.133563D+00 -0.106546D+01  0.437741D+01 -0.235555D+01 -0.127213D+01
                46            47            48            49            50 
      1  -0.117649D+02  0.845232D+00  0.106863D+01 -0.938583D+00  0.111768D+01
      2   0.845232D+00 -0.543513D+01 -0.842849D+00  0.111768D+01 -0.548619D+00
      3   0.106863D+01 -0.842849D+00 -0.130284D+01  0.377734D-01 -0.246672D-02
                51            52            53            54            55 
      1   0.377734D-01  0.788091D+00 -0.496416D+00 -0.128237D+01  0.139735D+02
      2  -0.246672D-02 -0.496416D+00  0.663666D+00 -0.400315D+01 -0.307906D+01
      3  -0.138046D+01 -0.128237D+01 -0.400315D+01  0.650683D-03 -0.106098D+01
                56            57            58            59            60 
      1  -0.307906D+01 -0.106098D+01 -0.781964D+00 -0.102688D+01  0.200618D+00
      2   0.991758D+01  0.653127D+00 -0.102688D+01 -0.140355D+00 -0.491737D-01
      3   0.653127D+00  0.139829D+01  0.200618D+00 -0.491737D-01  0.142184D+01
                61            62            63            64            65 
      1  -0.106825D+01  0.559006D+00  0.112096D+01  0.108751D+01  0.213862D+01
      2   0.559006D+00 -0.105367D+01  0.400789D+01  0.213862D+01  0.152820D+01
      3   0.112096D+01  0.400789D+01 -0.173406D+00 -0.694807D-01 -0.166767D+00
                66            67            68            69            70 
      1  -0.694807D-01  0.243230D+01  0.291321D+01 -0.142023D+00 -0.221824D+00
      2  -0.166767D+00  0.291321D+01  0.751784D+01 -0.236464D+00 -0.172693D+00
      3   0.177823D+00 -0.142023D+00 -0.236464D+00  0.816097D+00 -0.915801D-01
                71            72            73            74            75 
      1  -0.172693D+00 -0.915801D-01  0.586373D+01 -0.287014D+01 -0.565241D+00
      2  -0.498975D-01  0.725137D-01 -0.287014D+01  0.265368D+01  0.260363D+00
      3   0.725137D-01 -0.584659D-01 -0.565241D+00  0.260363D+00  0.543775D+00
                76            77            78            79            80 
      1  -0.400334D+01  0.405135D+01  0.479411D+00 -0.595557D+00  0.193329D+00
      2   0.405135D+01 -0.494903D+01 -0.456418D+00  0.193329D+00 -0.196254D+00
      3   0.479411D+00 -0.456418D+00 -0.759335D+00 -0.393058D+00 -0.199171D+00
                81            82            83            84            85 
      1  -0.393058D+00 -0.100957D+01 -0.150493D+01  0.418364D-01 -0.779133D+00
      2  -0.199171D+00 -0.150493D+01 -0.202252D+01  0.592138D-01 -0.138330D+01
      3   0.479792D-01  0.418364D-01  0.592138D-01 -0.196579D+00 -0.616653D-01
                86            87            88            89            90 
      1  -0.138330D+01 -0.616653D-01  0.174007D+00  0.116202D+00  0.102611D+00
      2  -0.985607D+01 -0.141848D+00  0.116202D+00 -0.332333D-01 -0.147349D+00
      3  -0.141848D+00 -0.883352D+00  0.102611D+00 -0.147349D+00 -0.281210D-01
                91            92            93            94            95 
      1  -0.150335D+02  0.184866D+01  0.618897D-01  0.199695D+01 -0.577344D+00
      2   0.184866D+01 -0.348448D+00 -0.894215D-01 -0.577344D+00 -0.489378D+01
      3   0.618897D-01 -0.894215D-01 -0.328920D+01 -0.105086D+01  0.640069D-01
                96            97            98            99           100 
      1  -0.105086D+01 -0.256685D+00 -0.483026D+00 -0.755876D+01 -0.660113D+01
      2   0.640069D-01 -0.483026D+00 -0.322087D+00  0.130750D+01 -0.221745D+01
      3   0.116827D+01 -0.755876D+01  0.130750D+01  0.787217D-01  0.128733D+01
               101           102           103           104           105 
      1  -0.221745D+01  0.128733D+01 -0.567759D+01  0.622281D+00  0.861038D+00
      2   0.289866D+00 -0.275050D+00  0.622281D+00  0.438007D+01  0.119020D+01
      3  -0.275050D+00  0.340795D+01  0.861038D+00  0.119020D+01 -0.265292D+01
               106           107           108           109           110 
      1  -0.453919D+01  0.502842D+00  0.531173D+01 -0.717053D+01  0.235766D+01
      2   0.502842D+00  0.589758D+00 -0.215116D+01  0.235766D+01 -0.769544D+00
      3   0.531173D+01 -0.215116D+01 -0.369947D+00  0.102685D-02  0.327932D+00
               111           112           113           114           115 
      1   0.102685D-02  0.192334D+01 -0.596929D+00  0.691898D+00  0.703118D+01
      2   0.327932D+00 -0.596929D+00  0.104687D+01  0.237025D+00 -0.331986D+00
      3   0.108177D+01  0.691898D+00  0.237025D+00 -0.534442D+00  0.416302D+01
               116           117           118           119           120 
      1  -0.331986D+00  0.416302D+01 -0.105909D+01  0.135585D+01  0.439056D-01
      2   0.932932D+00 -0.514806D+00  0.135585D+01  0.783917D+00 -0.988420D-01
      3  -0.514806D+00  0.414277D+00  0.439056D-01 -0.988420D-01  0.823063D+00
               121           122           123           124           125 
      1   0.314797D+01  0.187844D+01 -0.529249D-02  0.495749D+00 -0.444307D-01
      2   0.187844D+01  0.644458D+01 -0.289767D+00 -0.444307D-01 -0.103788D-01
      3  -0.529249D-02 -0.289767D+00  0.143441D+01  0.117236D+01  0.817215D+00
               126           127           128           129           130 
      1   0.117236D+01  0.142939D+02  0.125896D+01 -0.327208D+01  0.278746D+01
      2   0.817215D+00  0.125896D+01  0.114474D+01 -0.171978D+00  0.141445D+01
      3  -0.260083D+00 -0.327208D+01 -0.171978D+00  0.216418D+01 -0.814039D+00
               131           132           133           134           135 
      1   0.141445D+01 -0.814039D+00 -0.991576D+00 -0.181249D+00  0.102893D+01
      2   0.258923D+00 -0.456038D+00 -0.181249D+00 -0.111616D-01  0.403247D+00
      3  -0.456038D+00  0.879008D+00  0.102893D+01  0.403247D+00 -0.408110D+00
               136           137           138           139           140 
      1  -0.518261D+00  0.524317D+00 -0.846315D+00  0.131306D+01 -0.733647D-01
      2   0.524317D+00 -0.636259D+00  0.505184D+00 -0.733647D-01  0.744157D+00
      3  -0.846315D+00  0.505184D+00 -0.299339D+01 -0.227773D+00 -0.149338D+01
               141           142           143           144           145 
      1  -0.227773D+00 -0.662252D+00 -0.287403D-01 -0.439592D+00  0.711054D+00
      2  -0.149338D+01 -0.287403D-01 -0.125897D+01  0.153505D+01 -0.739233D+00
      3   0.271051D+01 -0.439592D+00  0.153505D+01 -0.670447D+01 -0.148895D+00
               146           147           148           149           150 
      1  -0.739233D+00 -0.148895D+00 -0.237203D+01  0.811037D+00  0.930987D+00
      2   0.299191D-01  0.272908D-01  0.811037D+00 -0.596768D+01 -0.165265D+01
      3   0.272908D-01 -0.503480D+00  0.930987D+00 -0.165265D+01 -0.203120D+01
               151           152           153           154           155 
      1   0.106197D+00  0.233646D+00 -0.149722D+00  0.193745D+02 -0.343313D+01
      2   0.233646D+00 -0.719974D+00 -0.770982D+00 -0.343313D+01  0.221886D+01
      3  -0.149722D+00 -0.770982D+00 -0.697657D+00  0.929795D+00 -0.280838D+00
               156           157           158           159           160 
      1   0.929795D+00 -0.599715D+01  0.455274D+01 -0.570649D+00  0.134659D+01
      2  -0.280838D+00  0.455274D+01 -0.308791D+01  0.219046D+00 -0.324223D+00
      3   0.294135D+01 -0.570649D+00  0.219046D+00 -0.105855D+01  0.251581D+01
               161           162           163           164           165 
      1  -0.324223D+00  0.251581D+01  0.115256D+02 -0.123612D+01  0.381262D+01
      2  -0.297201D+00 -0.842554D+00 -0.123612D+01  0.982520D-01  0.219444D+00
      3  -0.842554D+00 -0.232162D+00  0.381262D+01  0.219444D+00  0.108369D+01
               166           167           168           169           170 
      1  -0.351337D+01  0.248678D+00 -0.654614D+00  0.155303D+01  0.500247D+00
      2   0.248678D+00  0.198299D+00  0.143672D+01  0.500247D+00  0.546688D+00
      3  -0.654614D+00  0.143672D+01 -0.514193D+00  0.765650D+00  0.308950D+00
               171           172           173           174           175 
      1   0.765650D+00 -0.101465D+02  0.934885D+00 -0.203123D+01  0.287693D+01
      2   0.308950D+00  0.934885D+00 -0.343591D+00 -0.212916D+00 -0.109639D+00
      3   0.745111D+01 -0.203123D+01 -0.212916D+00 -0.285037D+01  0.582844D+00
               176           177           178           179           180 
      1  -0.109639D+00  0.582844D+00 -0.514079D+01 -0.750894D-02 -0.199483D+01
      2   0.569295D+00  0.697952D+00 -0.750894D-02  0.942922D+00  0.214271D+00
      3   0.697952D+00  0.102392D+01 -0.199483D+01  0.214271D+00  0.389305D+00
               181           182           183           184           185 
      1  -0.125251D+02  0.925971D+00  0.459822D+00  0.590110D+01 -0.833632D-01
      2   0.925971D+00 -0.106754D+02  0.133076D+00 -0.833632D-01 -0.652981D+01
      3   0.459822D+00  0.133076D+00 -0.169347D+01 -0.242964D+00 -0.757554D-01
               186           187           188           189           190 
      1  -0.242964D+00  0.330412D+00  0.262733D+00 -0.511027D+01 -0.361526D+02
      2  -0.757554D-01  0.262733D+00  0.622712D+00  0.290616D+01  0.968319D+00
      3   0.997382D+00 -0.511027D+01  0.290616D+01  0.108263D+01  0.186039D+01
               191           192           193           194           195 
      1   0.968319D+00  0.186039D+01  0.143112D+02 -0.558649D+00 -0.812431D+00
      2  -0.658427D+01 -0.126516D+00 -0.558649D+00  0.140720D+02  0.121636D+00
      3  -0.126516D+00 -0.290709D+01 -0.812431D+00  0.121636D+00  0.370226D+00
               196           197           198           199           200 
      1   0.220197D+01  0.125571D+00 -0.673913D+01  0.399013D+02 -0.418133D+01
      2   0.125571D+00  0.828120D+00  0.702325D+00 -0.418133D+01  0.829402D+01
      3  -0.673913D+01  0.702325D+00  0.126915D+01 -0.277988D+01  0.134601D-01
               201           202           203           204           205 
      1  -0.277988D+01 -0.172825D+02 -0.507502D+00  0.107945D+01 -0.376648D+01
      2   0.134601D-01 -0.507502D+00 -0.545132D+01  0.813390D-01 -0.479154D-02
      3   0.294405D+00  0.107945D+01  0.813390D-01 -0.223479D+01  0.448237D+00
               206           207           208           209           210 
      1  -0.479154D-02  0.448237D+00  0.553041D+01  0.123072D+01 -0.396069D+00
      2  -0.647730D+00 -0.387999D+01  0.123072D+01  0.173581D+01  0.547862D-01
      3  -0.387999D+01 -0.316835D+00 -0.396069D+00  0.547862D-01  0.134306D+00
               211           212           213           214           215 
      1   0.210184D+01 -0.160919D+01 -0.284137D+00 -0.479635D+00 -0.851818D-01
      2  -0.160919D+01  0.184841D+01  0.193416D+00 -0.851818D-01 -0.127781D+00
      3  -0.284137D+00  0.193416D+00 -0.831966D+00 -0.474434D+00  0.419558D+00
               216           217           218           219           220 
      1  -0.474434D+00  0.309900D+01 -0.132004D+01 -0.455635D+00 -0.351110D+01
      2   0.419558D+00 -0.132004D+01 -0.278382D+01  0.408753D+00  0.466841D-01
      3   0.680026D-01 -0.455635D+00  0.408753D+00 -0.203684D+01  0.730650D+00
               221           222           223           224           225 
      1   0.466841D-01  0.730650D+00 -0.275258D+00  0.443099D+00  0.618329D+00
      2  -0.102526D+01 -0.239474D+00  0.443099D+00  0.452407D-01  0.389133D+01
      3  -0.239474D+00  0.525904D+01  0.618329D+00  0.389133D+01  0.402367D+00
               226           227           228           229           230 
      1   0.782367D+00  0.126885D+01 -0.434456D-01  0.403973D+00  0.754086D+00
      2   0.126885D+01  0.227308D+01 -0.569563D-01  0.754086D+00  0.104041D+02
      3  -0.434456D-01 -0.569563D-01  0.196993D+00  0.569911D-01  0.860871D-01
               231           232           233           234           235 
      1   0.569911D-01 -0.778850D-01 -0.682951D-01 -0.219029D+00 -0.704043D+01
      2   0.860871D-01 -0.682951D-01  0.436922D-01  0.194753D+00  0.444234D+01
      3   0.892456D+00 -0.219029D+00  0.194753D+00  0.528215D-01  0.640831D+00
               236           237           238           239           240 
      1   0.444234D+01  0.640831D+00  0.512890D+01 -0.503878D+01 -0.458512D+00
      2  -0.388120D+01 -0.401739D+00 -0.503878D+01  0.584869D+01  0.498492D+00
      3  -0.401739D+00 -0.716298D+00 -0.458512D+00  0.498492D+00  0.840891D+00
               241           242           243           244           245 
      1   0.739154D+00 -0.453318D+00  0.247491D+00 -0.172024D+01 -0.218620D+01
      2  -0.453318D+00  0.430479D+00  0.322796D+00 -0.218620D+01 -0.118400D+01
      3   0.247491D+00  0.322796D+00  0.321159D-01  0.712167D-01  0.160458D+00
               246           247           248           249           250 
      1   0.712167D-01 -0.317984D+01 -0.305482D+01  0.120900D+00  0.322984D-01
      2   0.160458D+00 -0.305482D+01 -0.659324D+01  0.818801D-01  0.122563D+00
      3  -0.923899D-01  0.120900D+00  0.818801D-01 -0.619055D+00 -0.815566D-01
               251           252           253           254           255 
      1   0.122563D+00 -0.815566D-01  0.395797D+00  0.414169D+00 -0.673570D+00
      2  -0.593610D-01  0.121415D+00  0.414169D+00  0.517888D+00  0.200660D-01
      3   0.121415D+00  0.276402D-02 -0.673570D+00  0.200660D-01  0.880693D+00
               256           257           258           259           260 
      1  -0.743133D+00 -0.149641D+01 -0.100290D+01 -0.345931D+01 -0.202775D+01
      2  -0.149641D+01 -0.260729D+01 -0.183637D+01 -0.202775D+01 -0.248273D+01
      3  -0.100290D+01 -0.183637D+01 -0.229321D+01 -0.182477D+01 -0.253586D+01
               261           262           263           264           265 
      1  -0.182477D+01 -0.153600D+02 -0.133914D+01  0.102594D+01  0.107277D+01
      2  -0.253586D+01 -0.133914D+01 -0.113177D+01  0.736696D-01 -0.105597D+01
      3  -0.470720D+01  0.102594D+01  0.736696D-01 -0.123121D+01 -0.865950D-01
               266           267           268           269           270 
      1  -0.105597D+01 -0.865950D-01  0.115348D+01  0.867491D-01 -0.149586D+01
      2   0.247458D+00  0.108006D+00  0.867491D-01  0.124567D+00 -0.455732D+00
      3   0.108006D+00 -0.959164D-01 -0.149586D+01 -0.455732D+00  0.327402D+00
               271           272           273           274           275 
      1   0.771914D+00  0.504049D+00  0.517481D+00 -0.662761D+00 -0.129050D+01
      2   0.504049D+00  0.907936D+00 -0.558036D+00 -0.129050D+01 -0.290486D+01
      3   0.517481D+00 -0.558036D+00  0.146200D+01  0.698165D+00  0.216166D+01
               276           277           278           279 
      1   0.698165D+00  0.276346D+01  0.150690D+01 -0.149693D+01
      2   0.216166D+01  0.150690D+01  0.247611D+01 -0.276132D+01
      3  -0.257953D+01 -0.149693D+01 -0.276132D+01  0.463622D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243469D+01  0.308032D+01 -0.945703D-02  0.522726D+01 -0.315670D+01
      2   0.689819D+01 -0.393416D+00 -0.322737D+00  0.103393D+02 -0.130847D+01
      3   0.344902D+02  0.278289D+02 -0.190170D+01  0.514916D+02 -0.168344D+02
                 6             7             8             9            10 
      1  -0.772762D+00 -0.371269D+01  0.714806D+01  0.450008D+00 -0.881780D+00
      2   0.638199D+00 -0.185388D+02  0.174007D+01  0.145049D+01 -0.114383D+02
      3  -0.373637D+01 -0.553639D+00 -0.343359D+01  0.199215D+01 -0.160926D+02
                11            12            13            14            15 
      1   0.422008D+01  0.383804D+00  0.230684D+01 -0.764637D+00  0.265860D+00
      2   0.459296D+00 -0.389549D+01 -0.111146D+02  0.167347D+01  0.588362D+00
      3   0.332713D+02  0.136054D+01  0.393351D+02 -0.229562D+02 -0.342456D+01
                16            17            18            19            20 
      1  -0.297428D+01  0.820230D+01  0.343187D+00 -0.362156D+01 -0.799432D+00
      2  -0.193018D+02  0.979538D+00  0.153514D+01 -0.128782D+02  0.226510D+01
      3   0.243299D+01 -0.362798D+01 -0.124951D+01 -0.445728D+02 -0.205636D+02
                21            22            23            24            25 
      1   0.827776D+00 -0.478526D+00 -0.130148D+01 -0.266902D+01 -0.589212D+01
      2  -0.217918D+00  0.596161D+01 -0.107220D+01  0.188996D+01 -0.177479D+02
      3   0.256292D+01  0.152102D+02 -0.224484D+01 -0.404019D+00  0.283987D+01
                26            27            28            29            30 
      1  -0.180074D+00 -0.166201D+01 -0.142358D+00  0.106265D+01 -0.112313D+00
      2   0.758448D+01  0.153307D+01  0.148168D+02 -0.118804D+01  0.119712D+01
      3   0.221049D+01 -0.362899D+01  0.180205D+02  0.499007D+01 -0.964569D+00
                31            32            33            34            35 
      1   0.465731D+01  0.260288D+01  0.197405D+01 -0.235869D+01  0.135459D+02
      2  -0.472080D+00  0.113527D+00 -0.155240D+01 -0.126461D+02  0.157622D+01
      3   0.210147D+02  0.571363D+00  0.298685D+00  0.117522D+01 -0.160557D+01
                36            37            38            39            40 
      1   0.116467D+01 -0.452293D+00 -0.200377D+01  0.317742D+01 -0.134408D+01
      2   0.163500D+01  0.824904D+00 -0.275839D+00  0.139802D+01 -0.375644D+01
      3   0.394345D+01 -0.220595D+02 -0.143834D+01  0.493900D+00 -0.552574D+01
                41            42            43            44            45 
      1  -0.212171D+01 -0.797183D+00  0.147959D+02  0.645426D+01 -0.975331D+00
      2   0.908058D+00 -0.121556D+01 -0.108058D+02 -0.623631D+01  0.145251D+01
      3  -0.663668D+01 -0.102945D+01 -0.856004D+00 -0.122772D+01 -0.510642D+01
                46            47            48            49            50 
      1   0.172579D+01 -0.906095D+00 -0.341998D+01 -0.109572D+01  0.192340D+01
      2  -0.360781D+01  0.219427D+00  0.114348D+01  0.341090D-01  0.547624D-01
      3   0.401179D+02 -0.288358D+02 -0.239614D+01 -0.972492D+01  0.210440D+02
                51            52            53            54            55 
      1  -0.233603D+01 -0.868641D+01 -0.270264D+01  0.259951D+01  0.178592D+01
      2  -0.652582D+00 -0.178068D+02 -0.147940D+00  0.744030D+00 -0.212135D+00
      3   0.145649D+01 -0.305710D+01  0.260565D+01  0.580015D+01  0.272133D+02
                56            57            58            59            60 
      1  -0.349045D+01 -0.426698D+01  0.145180D+00  0.195934D+01 -0.244615D+01
      2  -0.110403D+01 -0.355926D+01  0.349465D+00 -0.417687D+00 -0.350432D+01
      3  -0.148321D+02 -0.822364D+00 -0.279742D+00  0.207491D+02  0.150625D+00
                61            62            63            64            65 
      1  -0.801178D+01 -0.406347D+01  0.111743D+01 -0.510818D+00  0.578300D-01
      2  -0.224346D+02 -0.623459D+01  0.175445D+01  0.774968D-01  0.400058D+00
      3  -0.984149D+00  0.152382D+01  0.129978D+02  0.114095D+00  0.682169D+00
                66            67            68            69            70 
      1  -0.113302D+01 -0.501483D+00 -0.161233D+01 -0.395692D+01  0.777574D-01
      2   0.334183D+00  0.619884D+00  0.534908D+00  0.141666D+01 -0.157257D+01
      3   0.143222D+00  0.502942D+01 -0.477880D+01 -0.426209D-01  0.515548D-01
                71            72            73            74            75 
      1   0.208492D+01  0.272652D+00 -0.430734D+00 -0.599506D+00  0.253553D+01
      2  -0.903728D+00 -0.571280D-01  0.200449D+01 -0.881256D+00  0.163543D+01
      3  -0.297043D+00  0.646147D+00 -0.870019D+01 -0.163430D+00  0.670786D+00
                76            77            78            79            80 
      1  -0.887997D+00  0.137030D+01 -0.281074D+01 -0.201650D+01  0.143308D+01
      2  -0.120381D+01  0.106553D+01 -0.236338D+01 -0.256541D+01  0.856049D-01
      3   0.202610D+01  0.247234D+01 -0.472528D-01  0.156571D+01  0.931437D-01
                81            82            83            84            85 
      1   0.126817D+00  0.780026D+00  0.882035D+00 -0.125136D+01  0.371672D+00
      2  -0.196860D-01 -0.259731D+00 -0.360811D+00  0.662170D+00 -0.232806D+00
      3   0.765835D+00  0.496843D+01  0.229322D+01 -0.259149D+00  0.534923D+01
                86            87            88            89            90 
      1   0.269881D+01 -0.443190D+01  0.132160D+01  0.199140D+01 -0.112312D+00
      2  -0.463022D+00  0.103766D+01 -0.401045D+00  0.776871D+00  0.155850D-01
      3   0.355867D+01  0.807630D-01 -0.556895D+00 -0.245722D+00 -0.115396D+01
                91            92            93            94            95 
      1  -0.220691D+01  0.699717D+00  0.786797D+00  0.219301D+01  0.189807D+01
      2  -0.104699D+02  0.857678D+00 -0.732771D+01 -0.781402D+00 -0.710444D+00
      3  -0.107775D+02 -0.365477D+01  0.807558D-01  0.101137D+02  0.217272D+02
                96            97            98            99           100 
      1  -0.255924D+01  0.291479D+01  0.348305D+01 -0.903819D+00  0.404787D+01
      2   0.306364D+01 -0.343556D+02  0.436269D+01 -0.301188D+01 -0.119017D+02
      3  -0.102252D+01  0.626737D+00  0.725825D+00 -0.841687D+01  0.138150D+02
               101           102           103           104           105 
      1  -0.224418D+01  0.658813D+00  0.162589D+00 -0.103892D+02 -0.632427D+01
      2  -0.426414D+01  0.202322D+02 -0.289170D+01  0.581429D+01 -0.102332D+02
      3  -0.549184D+01 -0.567478D+00 -0.592862D+00 -0.222327D+02 -0.557782D+01
               106           107           108           109           110 
      1  -0.116410D+01 -0.789636D+00  0.663456D+01  0.534553D+01 -0.202213D+01
      2   0.150329D+02 -0.854147D+01  0.718609D+01  0.145497D+02 -0.179149D+01
      3  -0.333637D+01 -0.441402D+01  0.102199D+02  0.754587D+00  0.132943D+02
               111           112           113           114           115 
      1  -0.762523D+01 -0.106087D+02  0.272674D+01 -0.133488D+02 -0.700454D+01
      2   0.278228D+01  0.912623D-01  0.171709D+01  0.692623D+01  0.106985D+02
      3   0.200442D+01  0.178082D+02 -0.148915D+02  0.129830D+01  0.530907D+01
               116           117           118           119           120 
      1  -0.405270D+01 -0.250411D+01 -0.643527D+00 -0.603853D+00 -0.323635D+00
      2   0.164657D+01  0.911689D+00 -0.269669D+00  0.348649D+00  0.332451D+01
      3   0.838878D-01  0.444475D+01 -0.728274D+01 -0.260788D+01  0.224315D+00
               121           122           123           124           125 
      1  -0.850925D+00 -0.346906D+01 -0.253802D+01 -0.243439D+00  0.325803D+00
      2   0.125266D+01  0.453262D+00  0.459896D+01  0.223662D+01  0.239007D+01
      3  -0.131161D+01 -0.230515D+02  0.863848D+00  0.828103D+00 -0.148429D+00
               126           127           128           129           130 
      1   0.768166D-01 -0.214792D+01 -0.321195D+01 -0.441159D-01 -0.279202D+01
      2  -0.292220D+00  0.117766D+02  0.173153D+01  0.667227D+01  0.155046D+01
      3  -0.195630D+01 -0.512814D+01 -0.773946D+01  0.676596D+00 -0.509018D+01
               131           132           133           134           135 
      1  -0.110279D+00 -0.147447D+00  0.627830D+00  0.801732D+00 -0.817911D+00
      2   0.469162D+00  0.268490D+01  0.177192D+01  0.961610D+00  0.591359D+00
      3  -0.456052D+00  0.175112D+01  0.457259D+00  0.152335D+01 -0.158184D+01
               136           137           138           139           140 
      1  -0.169234D+01  0.274411D+01 -0.906312D+00  0.108564D+01 -0.204549D+01
      2  -0.673270D+01  0.331374D+01 -0.126912D+02  0.239044D+01 -0.615409D+01
      3  -0.277943D+01  0.243772D+01 -0.189475D+01  0.205469D+01 -0.249456D+01
               141           142           143           144           145 
      1   0.192606D+01 -0.593431D-01  0.460051D+01 -0.329693D+01  0.236273D+01
      2   0.103315D+02 -0.616377D+01  0.653918D+01 -0.268634D+02 -0.149646D+00
      3   0.547551D+01  0.112180D+00  0.431381D+01 -0.602731D+01  0.432695D+01
               146           147           148           149           150 
      1   0.321152D+00 -0.378562D+00 -0.286128D+00  0.136781D+02  0.337986D+00
      2  -0.122879D+01 -0.164935D+01 -0.100429D+01 -0.549796D+01 -0.644294D+01
      3   0.516984D+00 -0.394953D+00  0.119147D+01  0.259629D+02  0.603685D+01
               151           152           153           154           155 
      1  -0.492344D+00  0.225979D+01  0.123853D+01 -0.441670D+01  0.274188D+01
      2  -0.118803D+01 -0.240452D+01 -0.284436D+01 -0.881125D+01  0.138470D+01
      3  -0.161539D+01  0.252914D+01  0.318867D+01  0.121704D+02 -0.224616D+02
               156           157           158           159           160 
      1   0.404098D+01  0.755851D+01 -0.371768D+01 -0.823765D+00  0.184531D+01
      2   0.216912D+02 -0.252215D+01 -0.203340D+01 -0.930005D+01  0.705710D+01
      3   0.834426D-01 -0.178159D+02  0.182956D+02 -0.139868D+01  0.200517D+00
               161           162           163           164           165 
      1   0.294411D+01 -0.708168D+00 -0.688034D+01  0.219422D+01  0.631097D+00
      2  -0.354413D+01 -0.255354D+01 -0.100967D+02  0.410731D+01  0.128015D+01
      3  -0.111921D+01  0.325301D+01  0.961157D+01 -0.424166D+01  0.439129D+00
               166           167           168           169           170 
      1   0.562955D+01 -0.170083D+00  0.416151D+01 -0.138299D+01  0.844726D+01
      2   0.565475D+01  0.494765D+01 -0.278087D+01 -0.694540D+01  0.101455D+01
      3  -0.227823D+01  0.414704D-01 -0.710432D+01 -0.113308D+01 -0.250376D+01
               171           172           173           174           175 
      1  -0.784650D+00  0.717230D+01 -0.243957D+01  0.163724D+01 -0.611236D+01
      2   0.253284D+02  0.206592D+02 -0.357118D+01 -0.607127D+01 -0.540049D+01
      3  -0.143487D+01 -0.825953D+01  0.245930D+01 -0.100688D+01  0.654926D+01
               176           177           178           179           180 
      1   0.626175D+00 -0.238503D+01  0.186912D+01 -0.706959D+00  0.870326D+00
      2   0.318172D+01  0.254409D+01 -0.917886D+00  0.360348D+00  0.287415D+01
      3  -0.107701D+01 -0.710966D+00 -0.359703D+01  0.382677D+00 -0.151529D+01
               181           182           183           184           185 
      1  -0.803847D-01  0.172315D+01  0.437263D+01 -0.787828D+00 -0.107344D+01
      2  -0.143033D+01 -0.249688D+00  0.605237D+01  0.119457D+01  0.122611D+01
      3  -0.217206D+02 -0.101966D+02  0.103687D+01 -0.333069D+01 -0.260150D+02
               186           187           188           189           190 
      1  -0.139513D+01  0.164527D+02  0.694675D+01 -0.227134D+01 -0.154817D+01
      2  -0.157502D+01  0.240348D+01 -0.110502D+02 -0.206235D+01 -0.770239D+01
      3  -0.424565D+00  0.153669D+00 -0.572799D+00 -0.254889D+01 -0.230167D+02
               191           192           193           194           195 
      1   0.410451D+01  0.111493D+01  0.407265D+01 -0.126093D+01  0.300554D+01
      2  -0.301738D+00  0.169249D+00  0.241270D+01 -0.126578D+01 -0.105550D+01
      3   0.180873D+02  0.213640D+01  0.480208D+02  0.226043D+02 -0.337849D+01
               196           197           198           199           200 
      1  -0.244512D+01  0.132801D+02  0.481003D+00  0.986937D-01 -0.318739D+01
      2   0.216100D+01 -0.206311D+01 -0.163534D+01  0.845140D+01  0.211728D+00
      3   0.325311D+01 -0.226689D+01  0.517664D+00  0.527516D+01 -0.220255D+02
               201           202           203           204           205 
      1  -0.299086D+00 -0.985684D+00  0.102750D+01 -0.259442D+01 -0.163403D+01
      2   0.264367D+01 -0.283195D+01 -0.343695D+00  0.442650D+01 -0.214677D+02
      3  -0.135165D+01 -0.148192D+02 -0.140634D+01  0.167927D+01 -0.200790D+01
               206           207           208           209           210 
      1   0.260487D+01  0.399294D+00  0.136343D+01 -0.354659D+01 -0.108051D+01
      2   0.137910D+02  0.204423D+01  0.141349D+01  0.491325D+00  0.103590D+02
      3   0.214030D+01 -0.758676D+01  0.194914D+02 -0.366355D+02 -0.205188D+01
               211           212           213           214           215 
      1  -0.138210D+00  0.153096D+00 -0.640005D+01  0.343817D+01  0.123929D+00
      2   0.102735D+01 -0.464130D+00  0.661811D+01 -0.368644D+01 -0.451666D+01
      3   0.183480D+01  0.492632D+01  0.430611D+00 -0.185686D+01  0.312733D+01
               216           217           218           219           220 
      1  -0.298869D+00 -0.180901D+01  0.539016D+00 -0.306410D+01  0.299891D+00
      2  -0.665123D+00  0.209942D+01 -0.213393D+01  0.114174D+02 -0.334232D+01
      3   0.171334D+01 -0.311688D+02 -0.131769D+02  0.517500D+01 -0.490351D+01
               221           222           223           224           225 
      1   0.100225D+01  0.900585D+01  0.892940D+01  0.107942D+02  0.157310D+01
      2   0.854737D+00 -0.303932D+02 -0.239864D+01 -0.213115D+02 -0.245945D+01
      3   0.143615D+02 -0.124655D+01  0.426567D+01 -0.571713D+00  0.278262D+02
               226           227           228           229           230 
      1   0.276146D+00  0.257767D+00 -0.137686D+01 -0.117489D+00 -0.250264D+00
      2   0.457680D-01  0.127745D+00  0.138959D+00 -0.124230D+00 -0.366893D+00
      3   0.694445D+01  0.634598D+01 -0.402103D+00  0.547247D+01  0.218747D+02
               231           232           233           234           235 
      1  -0.485778D+01  0.102781D+01  0.204794D+01 -0.156942D+00 -0.958259D+00
      2  -0.632612D+00  0.430475D+00  0.152156D+00 -0.107252D+00 -0.148360D+01
      3   0.332525D+00 -0.636399D+00 -0.220502D+00 -0.738152D+00 -0.422039D+00
               236           237           238           239           240 
      1   0.278081D+00  0.260826D+01  0.300572D+00 -0.115193D+00 -0.310621D+01
      2   0.945235D+00  0.381207D+01  0.995494D+00 -0.124240D+01 -0.416394D+01
      3  -0.630686D+01 -0.772983D-01 -0.635644D+01  0.122134D+02  0.874536D+00
               241           242           243           244           245 
      1  -0.248077D+01  0.794547D+00  0.362610D-01  0.350453D+00  0.344817D+00
      2  -0.275016D+01 -0.127470D+01 -0.158807D+00 -0.405569D+00 -0.608604D+00
      3   0.234274D+00  0.705391D+00  0.175361D+01 -0.104557D+01 -0.107197D+01
               246           247           248           249           250 
      1  -0.587202D+00  0.466647D+00  0.199915D+00 -0.303989D+01 -0.271866D+00
      2   0.300008D+00 -0.537289D+00 -0.320498D+00  0.200230D+01 -0.112335D+01
      3   0.177590D+00 -0.196075D+00 -0.159598D+02 -0.138001D+00  0.180560D+00
               251           252           253           254           255 
      1   0.152929D+01  0.718810D-01 -0.788844D+00  0.125914D+00  0.194437D+01
      2  -0.138193D+01  0.483816D-01  0.538757D+01  0.289664D+00 -0.419180D+01
      3  -0.433517D+00  0.708571D+00 -0.334049D+00  0.484330D+01  0.173342D+01
               256           257           258           259           260 
      1  -0.105219D+01 -0.272291D+01 -0.508923D+01 -0.321550D+01 -0.258804D+01
      2   0.481961D+01  0.967801D+01  0.127406D+02  0.530643D+01  0.136906D+02
      3  -0.438814D+01 -0.174339D+02 -0.110823D+02 -0.589528D+01 -0.154099D+02
               261           262           263           264           265 
      1  -0.914038D+01  0.101130D+01 -0.463675D+00 -0.162615D+01 -0.251289D+00
      2   0.252506D+02 -0.230547D+01 -0.108180D+00  0.907017D+01  0.249623D+00
      3  -0.169005D+02  0.108806D+02 -0.849308D+01 -0.923365D+00 -0.509219D+01
               266           267           268           269           270 
      1   0.222882D+00 -0.872653D+00 -0.193792D+01 -0.272995D+00  0.225038D+00
      2  -0.355476D+00  0.583143D+00  0.669906D+01  0.234856D+01 -0.161871D+01
      3   0.287935D+01  0.617247D+00 -0.941233D+00  0.908909D+00 -0.178838D+01
               271           272           273           274           275 
      1   0.457057D+00  0.141373D+00  0.278522D+01  0.299097D+00  0.113827D+01
      2  -0.533560D+01  0.236161D+01 -0.705872D+01 -0.272777D+01 -0.106761D+02
      3  -0.251255D+00  0.774562D+01 -0.504118D+01 -0.275705D+01 -0.193927D+02
               276           277           278           279 
      1  -0.430474D+01 -0.189930D+01 -0.134654D+01  0.700785D+01
      2   0.137748D+02  0.298120D+01  0.141901D+02 -0.235199D+02
      3   0.129360D+02  0.334084D+01  0.152246D+02 -0.181371D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.688110D+02  0.267877D+02  0.463381D+01 -0.873944D+02 -0.169184D+01
      2   0.326671D+02 -0.177895D+02 -0.278644D+01  0.343750D+02  0.133768D+02
      3   0.361439D+02 -0.899817D+01 -0.184737D+01  0.530194D+02 -0.116850D+02
      4  -0.332210D+01  0.193968D+02  0.890464D+00  0.123760D+02 -0.244420D+02
      5   0.501505D+00 -0.138823D+01 -0.200062D+01 -0.390779D+01  0.171076D+01
      6   0.529212D+00 -0.171202D+01  0.414715D+00  0.217336D+01 -0.146986D+01
                 6             7             8             9            10 
      1   0.702969D+01  0.435298D+01 -0.168904D+01 -0.102629D+02  0.691927D+02
      2  -0.237479D+01 -0.248139D+01  0.189370D+01 -0.121447D+01 -0.175336D+02
      3  -0.465489D+01 -0.187159D+01 -0.204652D+00  0.114774D+02 -0.516591D+02
      4  -0.147755D+01  0.183117D+00 -0.173362D+01 -0.212768D+01  0.343200D+02
      5   0.296844D+01  0.812621D+00 -0.754069D+00  0.155783D+01  0.354319D+00
      6  -0.208826D-01  0.293822D+01  0.402260D+01 -0.100159D+01 -0.317059D+01
                11            12            13            14            15 
      1   0.207523D+02 -0.607036D+01  0.958624D+02 -0.236080D+02 -0.771718D+01
      2  -0.171259D+02  0.791991D+00 -0.365722D+02  0.147928D+02  0.322858D+01
      3  -0.362638D+01  0.527837D+01 -0.592902D+02  0.881517D+01  0.448859D+01
      4   0.152172D+02 -0.151999D+01 -0.286601D+02  0.188410D+02  0.220085D+01
      5  -0.141726D+01 -0.979019D+01  0.254396D+01 -0.406657D+00 -0.850180D+00
      6   0.138630D+00  0.105453D+00 -0.454024D+00  0.194684D+01 -0.107115D+01
                16            17            18            19            20 
      1  -0.424533D+01 -0.194779D+01 -0.496151D+01  0.439051D+02 -0.316808D+02
      2  -0.189663D+00  0.136804D+01 -0.362219D+01 -0.142806D+02  0.194571D+02
      3   0.443499D+01  0.579754D+00  0.858370D+01 -0.296244D+02  0.122236D+02
      4  -0.305539D+01 -0.677130D+00  0.377504D+01 -0.761721D+01 -0.243409D+02
      5   0.233729D+01  0.180821D+01  0.217908D+01  0.204495D+01  0.153540D+01
      6   0.186086D+01  0.253370D+01  0.512908D-01 -0.103966D+01  0.533490D+01
                21            22            23            24            25 
      1  -0.693747D+01  0.124076D+02  0.181686D+02  0.261477D+01 -0.449744D+01
      2   0.332369D+01 -0.238687D+02 -0.233069D+02 -0.309027D-01  0.617877D+00
      3   0.361378D+01  0.114612D+02  0.513835D+01 -0.258387D+01  0.387956D+01
      4   0.342417D+00  0.103522D+02 -0.329892D+00 -0.294053D+00  0.255001D+01
      5  -0.287789D+01 -0.154764D+01  0.114545D+00  0.714504D+01  0.987365D+01
      6  -0.390160D+00  0.438240D+00 -0.228806D+01  0.553714D+01  0.293534D+01
                26            27            28            29            30 
      1   0.774991D+01 -0.129365D+02  0.137164D+02 -0.571657D+01  0.300967D+01
      2  -0.281444D+01  0.130230D+01 -0.317171D+02  0.491976D+01 -0.449975D+00
      3  -0.493547D+01  0.116342D+02  0.180007D+02  0.796812D+00 -0.255970D+01
      4   0.201470D+01  0.681634D+01  0.392745D+00  0.135848D+02  0.533194D+00
      5   0.901068D+01  0.297439D+01 -0.802065D+01  0.229244D+01  0.888956D+01
      6   0.141377D+02 -0.230551D+01  0.139175D+01 -0.244878D+01  0.217797D+01
                31            32            33            34            35 
      1   0.406467D+02 -0.476967D+02 -0.209865D+01  0.644758D+01 -0.223693D+01
      2  -0.294348D+02  0.414822D+02  0.214743D+01 -0.674189D+00  0.107167D+01
      3  -0.112119D+02  0.621457D+01 -0.487805D-01 -0.577339D+01  0.116526D+01
      4  -0.321979D+02 -0.173335D+02  0.632405D+00 -0.248523D+01 -0.493630D+00
      5  -0.231891D+01  0.193362D+01 -0.246002D+01  0.308086D+02 -0.400424D+01
      6   0.144299D+01  0.552542D+01 -0.354990D+01  0.424619D+01  0.289949D+01
                36            37            38            39            40 
      1   0.561501D+00 -0.211442D+02  0.524463D+02  0.404412D+01 -0.392835D+02
      2  -0.120321D+02  0.124878D+02 -0.368114D+02 -0.146459D+01  0.401083D+02
      3   0.114706D+02  0.865641D+01 -0.156349D+02 -0.257954D+01 -0.824820D+00
      4  -0.255578D+00  0.259539D+02  0.522401D+01 -0.263148D+01  0.186330D+02
      5  -0.212898D+01  0.358739D+00 -0.470875D+01  0.320591D+01  0.289429D+01
      6  -0.747656D+00 -0.383609D+01 -0.428929D+01 -0.644939D+01 -0.139629D+01
                41            42            43            44            45 
      1   0.271692D+02  0.139972D+01  0.308631D+01 -0.632110D+01 -0.116834D+02
      2  -0.259954D+02 -0.267945D+01  0.268722D+01  0.174919D+01 -0.100777D+01
      3  -0.117378D+01  0.127973D+01 -0.577352D+01  0.457191D+01  0.126912D+02
      4   0.244100D+02  0.183839D+00 -0.382257D+01  0.114751D+01 -0.705850D+01
      5  -0.129736D+01 -0.675140D+01  0.141764D+02 -0.693325D+01 -0.231929D+01
      6  -0.417361D+01  0.214682D+01 -0.179918D+02  0.888136D+01  0.477308D+01
                46            47            48            49            50 
      1   0.298913D+02 -0.440352D+02 -0.603135D+01  0.804749D+01  0.902434D+01
      2  -0.228611D+02  0.301310D+02  0.257592D+01 -0.680506D+01 -0.172755D+02
      3  -0.703021D+01  0.139042D+02  0.345542D+01 -0.124243D+01  0.825114D+01
      4  -0.312944D+02 -0.144160D+02  0.213547D+01  0.181025D+02 -0.797511D+01
      5   0.292826D+01  0.251112D+01  0.918074D+00  0.419346D+00 -0.794816D+00
      6   0.255924D+01  0.623475D+01  0.529970D+01 -0.155657D+01 -0.236348D+00
                51            52            53            54            55 
      1  -0.286784D+00 -0.449174D+01  0.329500D+01 -0.196633D+02 -0.201131D+02
      2  -0.818528D+00  0.250398D+01 -0.510163D+01  0.848054D+01  0.236335D+01
      3   0.110531D+01  0.198776D+01  0.180664D+01  0.111828D+02  0.177497D+02
      4  -0.131222D+01  0.350505D+01  0.313633D+01  0.249121D+01  0.169541D+02
      5   0.176893D+00  0.399684D+01  0.731202D+00  0.251005D+01 -0.327873D+01
      6   0.610307D+01  0.483242D+01  0.199057D+02  0.983338D+00  0.967151D+00
                56            57            58            59            60 
      1  -0.358595D+02 -0.191452D+01  0.643843D-01  0.165962D+02  0.696306D+00
      2   0.330534D+02  0.154948D+01 -0.329023D+01 -0.209776D+02 -0.455555D+00
      3   0.280615D+01  0.365045D+00  0.322584D+01  0.438138D+01 -0.240751D+00
      4  -0.577156D+02 -0.262570D+01  0.138620D+02 -0.787818D+01 -0.135961D+00
      5   0.134067D+01 -0.592527D+01  0.960224D+00 -0.317813D+00 -0.495627D+01
      6   0.316010D+01  0.707140D+01 -0.603596D+00 -0.650974D+00  0.688399D+01
                61            62            63            64            65 
      1  -0.646520D+00  0.297080D+01 -0.272963D+02 -0.142249D+01 -0.369594D+01
      2   0.114047D+01 -0.352658D+01  0.148613D+02  0.534293D+01  0.611191D+01
      3  -0.493953D+00  0.555783D+00  0.124350D+02 -0.392044D+01 -0.241598D+01
      4  -0.159503D+01  0.736724D+01 -0.990871D+01  0.792377D+01  0.112678D+02
      5  -0.228028D+01 -0.149490D+02  0.290492D+01 -0.695418D+00 -0.670255D+00
      6   0.477267D+01  0.245909D+02 -0.144123D+01 -0.117481D+01 -0.141495D+01
                66            67            68            69            70 
      1   0.139522D+00 -0.760623D+01 -0.295033D+02  0.114669D+01 -0.655857D+00
      2  -0.860008D-01  0.119066D+02  0.391610D+02 -0.746850D+00  0.364531D+00
      3  -0.535212D-01 -0.430041D+01 -0.965775D+01 -0.399841D+00  0.291325D+00
      4  -0.414522D+00  0.126805D+02  0.214460D+02 -0.489027D+00 -0.321873D+00
      5   0.137514D+01 -0.641220D+00  0.246355D+00  0.225381D+01 -0.521803D-01
      6   0.139812D+01 -0.165667D+01 -0.467084D+01  0.605058D+01  0.153549D+01
                71            72            73            74            75 
      1  -0.189338D+00 -0.244587D+01  0.683852D+01  0.187827D+01  0.196592D+00
      2   0.844445D-01  0.308787D+01  0.120053D+01 -0.781290D+01  0.447259D-02
      3   0.104893D+00 -0.641992D+00 -0.803906D+01  0.593462D+01 -0.201065D+00
      4  -0.494305D+00  0.781513D+00 -0.208164D+02  0.172890D+02  0.151859D+01
      5  -0.211641D-01 -0.298085D+00 -0.443950D+01  0.190012D+01  0.410995D+01
      6   0.211662D+01 -0.303904D+00  0.272111D+01 -0.251616D+01 -0.256151D+01
                76            77            78            79            80 
      1   0.442086D+01 -0.122866D+02 -0.142956D+01 -0.966272D+00 -0.420634D+00
      2  -0.125423D+02  0.214530D+02  0.103289D+01 -0.119781D+00  0.671536D+00
      3   0.812141D+01 -0.916640D+01  0.396661D+00  0.108605D+01 -0.250902D+00
      4   0.230168D+02 -0.248315D+02 -0.211062D+01  0.149562D+01 -0.122396D+01
      5   0.313667D+01 -0.243466D+01 -0.381901D+01 -0.613590D-01 -0.127322D+01
      6  -0.380323D+01  0.470272D+01  0.501839D+01  0.107976D+01  0.205262D+01
                81            82            83            84            85 
      1   0.966938D-01 -0.370378D+01 -0.730415D+01  0.295760D+00 -0.547124D+01
      2   0.866244D+00  0.627748D+01  0.106427D+02 -0.263206D+00  0.720721D+01
      3  -0.962938D+00 -0.257370D+01 -0.333857D+01 -0.325546D-01 -0.173597D+01
      4  -0.219559D+01  0.455680D+01  0.116977D+02  0.213280D+00  0.759730D+01
      5  -0.190956D+00  0.828965D+00  0.116922D+01  0.185355D+01  0.757130D+00
      6   0.314113D+00  0.602152D+00  0.354955D+00  0.169677D+01  0.796994D+00
                86            87            88            89            90 
      1  -0.447915D+02 -0.892742D+00  0.726701D+00 -0.372928D-01 -0.171068D+01
      2   0.592909D+02  0.485697D+00 -0.523086D+00 -0.605364D-02  0.208870D+01
      3  -0.144994D+02  0.407045D+00 -0.203615D+00  0.433464D-01 -0.378022D+00
      4   0.143561D+02  0.350501D+00 -0.176628D+00 -0.696281D+00  0.181892D+01
      5   0.278688D+01  0.125727D+01  0.848523D+00  0.141222D+01 -0.827373D-01
      6   0.444004D+01  0.715993D+01 -0.376316D+00  0.302090D+01  0.150397D+00
                91            92            93            94            95 
      1  -0.100673D+02  0.691597D+01 -0.932639D+01  0.891532D+01  0.100039D+02
      2   0.178411D+02 -0.746826D+01 -0.914310D+00 -0.120971D+02 -0.174741D+02
      3  -0.777385D+01  0.552298D+00  0.102407D+02  0.318176D+01  0.747020D+01
      4   0.772951D+01 -0.218481D+01 -0.741927D+00 -0.371442D+01 -0.398644D+02
      5  -0.206618D+00 -0.217631D+01 -0.228635D+02 -0.122989D+02  0.194225D+00
      6  -0.209075D+01  0.212595D+01  0.534776D+00 -0.603367D-01  0.561559D+01
                96            97            98            99           100 
      1  -0.579073D+01 -0.420596D+01 -0.579767D+00 -0.249871D+02 -0.654497D+02
      2   0.829979D+01 -0.510092D+01  0.622860D+00  0.199766D+02  0.350389D+02
      3  -0.250905D+01  0.930688D+01 -0.430937D-01  0.501049D+01  0.304108D+02
      4  -0.297085D-01 -0.301641D+01 -0.163020D+01  0.768597D+01 -0.230529D+02
      5   0.688970D+01 -0.580381D+02  0.914495D+01  0.549446D+01  0.322581D+02
      6   0.133386D+01  0.142392D+01  0.825668D+00 -0.323337D+01  0.104518D+02
               101           102           103           104           105 
      1  -0.176477D+02  0.287196D+02 -0.280689D+02  0.108496D+02 -0.568593D+01
      2   0.704766D+01 -0.165125D+01  0.199030D+02 -0.719762D+01 -0.978354D+01
      3   0.106001D+02 -0.270683D+02  0.816595D+01 -0.365201D+01  0.154695D+02
      4   0.526515D+01 -0.144771D+00  0.257987D+01  0.363691D+02  0.965477D+01
      5   0.402865D+01  0.181059D+02  0.145353D+02  0.620044D+01 -0.163169D+02
      6  -0.332362D+01  0.210328D+01 -0.158558D+01 -0.176312D+02 -0.601004D+01
               106           107           108           109           110 
      1   0.232481D+01 -0.709441D+01  0.332176D+02 -0.939500D+02  0.188241D+02
      2   0.159005D+02 -0.495266D+01 -0.146870D+02  0.399000D+02 -0.244983D+01
      3  -0.182253D+02  0.120471D+02 -0.185306D+02  0.540500D+02 -0.163742D+02
      4   0.188309D+01  0.641907D+01 -0.148221D+02  0.312785D+02 -0.213761D+02
      5   0.407643D+02 -0.135984D+02 -0.173573D+02 -0.124689D+02  0.674913D+01
      6  -0.167162D+01 -0.341391D+01  0.132431D+02  0.578417D+01 -0.117268D+01
               111           112           113           114           115 
      1  -0.553723D+01  0.311231D+02 -0.139786D+02  0.292951D+01  0.238782D+02
      2   0.209037D+01 -0.824917D+01  0.961270D+01 -0.183113D+01 -0.161297D+02
      3   0.344686D+01 -0.228740D+02  0.436588D+01 -0.109838D+01 -0.774848D+01
      4   0.395176D+01 -0.551620D+01  0.215552D+02  0.108355D+01 -0.553188D+00
      5  -0.451105D+01  0.114119D+02 -0.914581D+00  0.321138D+01  0.246044D+02
      6   0.343049D+01 -0.195436D+01  0.302948D+01  0.866965D+00 -0.357927D+01
               116           117           118           119           120 
      1   0.128901D+01  0.255900D+02 -0.408565D+01  0.658281D+01  0.155255D+01
      2   0.506917D+00 -0.502581D+01  0.734001D+01 -0.160333D+01 -0.624286D+00
      3  -0.179593D+01 -0.205642D+02 -0.325436D+01 -0.497949D+01 -0.928264D+00
      4   0.306869D+01 -0.531618D+01  0.118324D+02  0.102466D+02 -0.966342D+00
      5  -0.551467D+01  0.584060D+01  0.561734D+00 -0.135065D+01  0.733957D+01
      6  -0.375813D+01 -0.277669D+01 -0.133164D+01 -0.931681D+00  0.177575D+00
               121           122           123           124           125 
      1   0.107690D+02 -0.126530D+02  0.290080D+01  0.267724D+01 -0.215742D+00
      2  -0.719125D+00  0.264872D+02 -0.158818D+01 -0.141585D+01  0.170417D+01
      3  -0.100499D+02 -0.138342D+02 -0.131262D+01 -0.126139D+01 -0.148842D+01
      4   0.178287D+02  0.478190D+02 -0.215129D+01 -0.124317D+00  0.292713D+00
      5  -0.462706D+00 -0.202192D+01  0.104503D+02  0.928886D+01  0.526838D+01
      6  -0.158875D+01 -0.634313D+01  0.457929D+01  0.152937D+01  0.527408D+01
               126           127           128           129           130 
      1   0.103694D+01  0.108060D+03  0.109394D+02 -0.190854D+02  0.195211D+02
      2  -0.247281D+00 -0.638216D+02 -0.521702D+01  0.167700D+02 -0.107359D+02
      3  -0.789656D+00 -0.442379D+02 -0.572237D+01  0.231538D+01 -0.878515D+01
      4   0.568252D+01  0.168256D+02  0.142222D+02 -0.297085D+01  0.177043D+02
      5  -0.178455D+01 -0.585356D+02 -0.488346D+01  0.275716D+02 -0.123234D+02
      6  -0.713856D+00 -0.694510D+01 -0.546153D+01  0.150114D+01 -0.623587D+01
               131           132           133           134           135 
      1   0.937209D+01 -0.208818D+01 -0.714178D+01  0.560935D+00  0.648752D+01
      2  -0.389815D+01  0.399737D+01  0.723359D+01  0.129513D+01 -0.655225D+01
      3  -0.547394D+01 -0.190919D+01 -0.918123D-01 -0.185607D+01  0.647275D-01
      4   0.350572D+01 -0.479539D+01 -0.902728D+00 -0.186334D+01  0.368427D+01
      5  -0.652782D+01  0.796281D+01  0.150310D+02  0.344124D+01 -0.642907D+01
      6  -0.720749D+00  0.325107D+01  0.143381D+01  0.149115D+01 -0.193937D+01
               136           137           138           139           140 
      1  -0.527511D+01  0.700853D+01 -0.208705D+02  0.814908D+01 -0.983512D+01
      2  -0.749424D+00 -0.158668D+01 -0.174133D+01 -0.505196D+01  0.198925D+01
      3   0.602454D+01 -0.542185D+01  0.226118D+02 -0.309712D+01  0.784587D+01
      4   0.349501D+01 -0.397985D+01  0.286477D+01  0.108790D+01  0.442414D+01
      5  -0.960190D+00  0.205381D+00 -0.111065D+02 -0.595013D+01 -0.735564D+01
      6  -0.317080D+01  0.461458D+01 -0.429177D+01  0.319353D+00 -0.606959D+01
               141           142           143           144           145 
      1   0.119197D+02 -0.937226D+01  0.792461D+01 -0.360657D+02  0.640862D+01
      2   0.364583D+01  0.307778D+01  0.211108D+01 -0.122004D+02 -0.175924D+01
      3  -0.155655D+02  0.629449D+01 -0.100357D+02  0.482661D+02 -0.464937D+01
      4  -0.101588D+02 -0.747396D+00 -0.851837D+01  0.113097D+02 -0.499163D+01
      5   0.157904D+02  0.492858D+01  0.849023D+01 -0.357757D+02 -0.385980D+01
      6   0.111973D+02 -0.826314D-01  0.901122D+01 -0.117862D+02  0.247950D+01
               146           147           148           149           150 
      1  -0.530316D+01 -0.500523D+01 -0.115610D+02 -0.988736D+01 -0.312494D+01
      2   0.291759D+01  0.495931D+00  0.719382D+01  0.132106D+02 -0.250873D+01
      3   0.238557D+01  0.450930D+01  0.436720D+01 -0.332322D+01  0.563367D+01
      4   0.289846D+01  0.778170D+00  0.108106D+02 -0.460853D+02 -0.127595D+02
      5   0.236454D+01 -0.117916D+01  0.120719D+02 -0.118138D+02 -0.155163D+02
      6   0.668471D-01 -0.504547D-02 -0.414092D+01  0.255424D+02  0.108811D+02
               151           152           153           154           155 
      1  -0.608526D+00 -0.204870D+01 -0.651218D+01  0.190427D+03 -0.299845D+02
      2  -0.505623D+00 -0.522627D+00  0.113938D+01 -0.891091D+02  0.929271D+01
      3   0.111415D+01  0.257132D+01  0.537280D+01 -0.101318D+03  0.206918D+02
      4   0.181866D+01 -0.558358D+01 -0.561942D+01 -0.415957D+02  0.393440D+02
      5   0.486067D+00 -0.558664D+01 -0.342700D+01  0.317428D+02 -0.633948D+01
      6  -0.146957D+01  0.731548D+01  0.357533D+01 -0.517861D+01  0.454392D+01
               156           157           158           159           160 
      1   0.570752D+01 -0.416508D+02  0.343519D+02 -0.897941D+00  0.642038D+01
      2  -0.781687D+01  0.139991D+02 -0.895386D+01  0.192748D+01 -0.733317D+01
      3   0.210935D+01  0.276518D+02 -0.253981D+02 -0.102954D+01  0.912795D+00
      4  -0.277062D+01  0.528880D+02 -0.376921D+02  0.242051D+01 -0.278900D+01
      5   0.366184D+02 -0.937975D+01  0.728985D+01 -0.123981D+02  0.342530D+02
      6  -0.211751D+01  0.901217D+01 -0.639967D+01  0.564486D+01 -0.395813D+01
               161           162           163           164           165 
      1  -0.666988D+00  0.193352D+02  0.476474D+02 -0.885251D+01  0.150128D+02
      2   0.103633D+01 -0.133193D+02 -0.340125D+02  0.354655D+01 -0.991594D+01
      3  -0.369338D+00 -0.601592D+01 -0.136349D+02  0.530597D+01 -0.509682D+01
      4   0.815468D+00 -0.767235D+01 -0.874315D+01  0.794493D+01  0.132222D+01
      5  -0.854727D+01  0.403760D+01  0.323309D+02 -0.885620D+00  0.186347D+02
      6   0.512795D+01 -0.175873D+01 -0.345480D+01  0.142665D+01  0.781118D+00
               166           167           168           169           170 
      1  -0.162233D+02 -0.599931D+01  0.256608D-01 -0.251423D+01  0.198668D+00
      2   0.887104D+01  0.130036D+01  0.772785D+00 -0.222118D+01 -0.721872D+00
      3   0.735222D+01  0.469896D+01 -0.798446D+00  0.473541D+01  0.523204D+00
      4   0.656173D+01  0.122702D+01  0.108467D+02  0.405266D+01  0.521663D+01
      5  -0.721692D+01  0.110573D+02 -0.294204D+01  0.156157D+02  0.366880D+01
      6   0.161676D+01  0.650537D+00  0.115578D+02  0.278413D+01  0.109948D+02
               171           172           173           174           175 
      1  -0.327292D+02 -0.470441D+02  0.761182D+01  0.591766D+01  0.143192D+02
      2  -0.138019D+02  0.298675D+02 -0.372078D+01  0.565856D+01 -0.941379D+01
      3   0.465310D+02  0.171766D+02 -0.389104D+01 -0.115762D+02 -0.490540D+01
      4   0.606917D+01  0.674311D+01 -0.482873D+01 -0.114966D+01 -0.111973D+01
      5   0.450369D+02 -0.253864D+02  0.133485D+01 -0.155984D+02  0.689216D+01
      6   0.400030D+01  0.298762D+01 -0.379763D+01 -0.186542D+01 -0.104682D+01
               176           177           178           179           180 
      1  -0.667645D+01 -0.188097D+01 -0.804242D+01  0.131233D+00 -0.892872D+01
      2   0.400912D+01 -0.119215D+01  0.108467D+02 -0.435869D+00  0.462789D+01
      3   0.266733D+01  0.307311D+01 -0.280424D+01  0.304636D+00  0.430084D+01
      4   0.243766D+01  0.321004D+01  0.191652D+01 -0.903878D-01  0.102369D+01
      5   0.178701D+01  0.523041D+01 -0.993493D+01  0.667390D+00 -0.264995D+01
      6   0.253233D+01  0.358728D+01 -0.110756D+01  0.120920D+01  0.818789D+00
               181           182           183           184           185 
      1   0.290903D+02  0.523001D+02  0.457991D+00 -0.421499D+02  0.204965D+02
      2  -0.138327D+02 -0.435313D+02 -0.344960D+00  0.329264D+02 -0.248018D+02
      3  -0.152576D+02 -0.876882D+01 -0.113032D+00  0.922350D+01  0.430525D+01
      4   0.517080D+01  0.401864D+02 -0.282847D+01  0.195229D+01  0.396596D+02
      5   0.555360D+01 -0.567144D+01  0.109444D+02  0.948030D+00  0.119101D+01
      6  -0.382727D+01  0.186965D+01 -0.765906D+01  0.114402D+01 -0.169275D+01
               186           187           188           189           190 
      1   0.250027D+01  0.138173D+01 -0.633270D+01  0.611545D+01  0.123723D+03
      2  -0.242142D+01  0.106475D+01  0.341107D+01 -0.830459D+01 -0.612728D+02
      3  -0.788510D-01 -0.244648D+01  0.292163D+01  0.218914D+01 -0.624499D+02
      4   0.147055D+01 -0.513162D+01 -0.422458D+00 -0.242634D+02  0.108496D+02
      5  -0.623510D+01  0.358870D+02 -0.191382D+02 -0.334891D+01  0.184429D+01
      6   0.288235D+01 -0.245154D+02  0.135216D+02  0.347537D+01 -0.182301D+01
               191           192           193           194           195 
      1  -0.108096D+01 -0.726222D+01 -0.329690D+02 -0.435905D+02  0.698801D+00
      2  -0.103282D+02  0.186568D+01  0.336469D+01  0.464517D+02  0.133862D+01
      3   0.114091D+02  0.539653D+01  0.296043D+02 -0.286120D+01 -0.203742D+01
      4   0.200479D+02 -0.519587D+00 -0.422738D+02 -0.663115D+02  0.179069D+01
      5   0.509507D+00  0.217920D+01 -0.168478D+01  0.940550D+00 -0.202224D+01
      6   0.999696D+00 -0.262916D+01  0.299578D+01  0.791042D+00 -0.516910D+01
               196           197           198           199           200 
      1  -0.272701D+01 -0.224649D+01  0.240191D+02 -0.106945D+03 -0.234617D+02
      2   0.145065D+01  0.250765D+01 -0.211157D+02  0.361741D+02  0.250625D+02
      3   0.127636D+01 -0.261162D+00 -0.290343D+01  0.707704D+02 -0.160080D+01
      4  -0.327269D+01 -0.270787D+01 -0.934684D+00 -0.333463D+02 -0.344334D+02
      5   0.486038D+02 -0.592520D+01 -0.389389D+01  0.208625D+01  0.347288D+01
      6  -0.148409D+01  0.291250D+01 -0.296611D+00  0.425421D+01  0.995902D+00
               201           202           203           204           205 
      1   0.637629D+01  0.788617D+02  0.164353D+02 -0.414531D+01  0.970107D+01
      2  -0.230032D+01 -0.462739D+02 -0.239052D+02  0.213038D+01 -0.425623D+01
      3  -0.407597D+01 -0.325879D+02  0.746987D+01  0.201493D+01 -0.544485D+01
      4   0.337992D+01  0.267230D+02  0.218526D+02 -0.176412D+01  0.539250D+01
      5   0.577756D+01 -0.171906D+01 -0.645581D+00  0.996973D+01  0.122564D+01
      6   0.468896D+00 -0.198844D+01 -0.626684D+00  0.621079D+01  0.245774D+01
               206           207           208           209           210 
      1   0.530830D+01 -0.175856D+02  0.281833D+02 -0.608575D+01  0.896110D+00
      2  -0.425402D+01 -0.769385D+00 -0.191632D+02  0.562200D+01  0.135994D+01
      3  -0.105428D+01  0.183550D+02 -0.902009D+01  0.463747D+00 -0.225605D+01
      4   0.339577D+01  0.181825D+02 -0.157897D+02  0.111465D+02  0.591709D+00
      5   0.227736D+02  0.355852D+01 -0.276360D+01 -0.111992D+00  0.206295D+02
      6   0.115095D+02 -0.127593D+00  0.900327D+00 -0.133949D+01  0.288478D+01
               211           212           213           214           215 
      1  -0.195870D+02  0.566286D+01  0.338045D+01 -0.362620D+00 -0.209679D+00
      2   0.113500D+02 -0.331413D+01 -0.162658D+01  0.151372D+01 -0.509600D+00
      3   0.823700D+01 -0.234873D+01 -0.175387D+01 -0.115110D+01  0.719278D+00
      4   0.264656D+02 -0.175582D+02 -0.157786D+01  0.956489D+00 -0.752983D+00
      5   0.272843D+01 -0.451419D+00  0.124983D+02  0.137532D+02 -0.492038D+01
      6  -0.468743D+00  0.326912D+00  0.110126D+02 -0.103799D+01  0.396113D+01
               216           217           218           219           220 
      1   0.502315D+01 -0.888501D+02 -0.260686D+01  0.121197D+02  0.188135D+02
      2  -0.394771D+01  0.500760D+02  0.479079D+01 -0.661883D+01 -0.673380D+01
      3  -0.107544D+01  0.387742D+02 -0.218393D+01 -0.550084D+01 -0.120797D+02
      4  -0.588798D+01  0.101864D+01  0.228191D+02 -0.234213D+01  0.491210D+00
      5  -0.309373D+01  0.109112D+02 -0.279176D+01  0.167233D+02 -0.629086D+01
      6   0.403666D+00  0.736713D+00 -0.226692D+01  0.688637D+01 -0.196568D+01
               221           222           223           224           225 
      1   0.175831D+02 -0.100482D+02  0.103059D+02 -0.545824D+01  0.238652D+02
      2  -0.858249D+01  0.342033D+01 -0.580558D+01  0.176874D+01 -0.180563D+02
      3  -0.900058D+01  0.662791D+01 -0.450027D+01  0.368951D+01 -0.580892D+01
      4   0.351578D+01 -0.615879D-01 -0.367891D+01 -0.183502D+01 -0.357936D+02
      5  -0.518419D-01 -0.583815D+02 -0.436275D+01 -0.388505D+02 -0.705164D+01
      6   0.110999D+01 -0.240830D+02 -0.694917D+01 -0.181536D+02  0.312944D-01
               226           227           228           229           230 
      1  -0.668923D+01 -0.147775D+02  0.472175D+00 -0.521204D+01 -0.548616D+02
      2   0.792371D+01  0.161660D+02 -0.264082D+00  0.520954D+01  0.725323D+02
      3  -0.123448D+01 -0.138845D+01 -0.208093D+00  0.250323D-02 -0.176706D+02
      4   0.572292D+00  0.477503D+01  0.242332D+00  0.368037D+01 -0.215998D+02
      5   0.370017D+00  0.642817D+00  0.833571D+00  0.751170D-01  0.197741D+01
      6  -0.315415D+00 -0.797014D+00  0.199798D+01  0.161325D+00 -0.965618D+00
               231           232           233           234           235 
      1  -0.576068D+00  0.718534D+00  0.121369D+00 -0.817413D+00  0.361946D+02
      2   0.690991D+00 -0.484993D+00  0.173968D+00  0.166515D+01 -0.730713D+01
      3  -0.114922D+00 -0.233542D+00 -0.295337D+00 -0.847741D+00 -0.288875D+02
      4  -0.589037D-03 -0.386850D-01 -0.687953D+00  0.889196D+00 -0.510603D+02
      5  -0.215708D+01  0.219604D+01  0.461967D+00 -0.232676D+00 -0.346433D+01
      6   0.789262D+01 -0.916637D+00  0.306235D+01  0.938744D-01  0.268051D+01
               236           237           238           239           240 
      1  -0.182213D+02 -0.242724D+01 -0.173688D+02  0.877134D+01  0.736736D+00
      2  -0.193335D+01  0.651848D+00 -0.730386D+01  0.158816D+02  0.846339D+00
      3   0.201547D+02  0.177539D+01  0.246726D+02 -0.246530D+02 -0.158308D+01
      4   0.409448D+02  0.423717D+01  0.489623D+02 -0.538081D+02 -0.433687D+01
      5   0.215106D+01  0.711292D+01  0.219725D+01 -0.195855D+01 -0.685617D+01
      6  -0.201101D+01 -0.412301D+01 -0.226219D+01  0.275523D+01  0.571779D+01
               241           242           243           244           245 
      1  -0.331932D+01  0.130595D+01 -0.414444D+00  0.998911D+01  0.107861D+02
      2   0.576614D+00  0.466624D+00  0.121913D+01 -0.269245D+01 -0.346936D+01
      3   0.274270D+01 -0.177258D+01 -0.804682D+00 -0.729665D+01 -0.731678D+01
      4   0.502265D+01 -0.418415D+01 -0.383204D+01  0.166716D+02  0.133085D+02
      5  -0.475179D-01 -0.291172D+01 -0.946987D+00 -0.278140D+00 -0.504109D+00
      6   0.546949D+00  0.285676D+01  0.653387D+00 -0.111659D+00 -0.418735D+00
               246           247           248           249           250 
      1  -0.482358D+00  0.999208D+01 -0.682751D+01 -0.533611D+00 -0.387258D+00
      2   0.241217D+00  0.139588D+01  0.195971D+02  0.804442D-02  0.224137D+00
      3   0.241141D+00 -0.113880D+02 -0.127696D+02  0.525567D+00  0.163121D+00
      4  -0.100225D+01  0.239274D+02  0.399641D+02 -0.572673D+00 -0.681437D+00
      5   0.104706D+01  0.176936D+00  0.140176D+01  0.395392D+01  0.771037D+00
      6   0.386348D+00 -0.359706D-01  0.146126D+00  0.445197D+01  0.174914D+01
               251           252           253           254           255 
      1  -0.114321D+01 -0.102815D+01  0.213648D+01  0.325642D+01  0.873063D+01
      2   0.668035D+00  0.185031D+01 -0.128021D+01 -0.315316D+01 -0.409937D+01
      3   0.475170D+00 -0.822155D+00 -0.856266D+00 -0.103260D+00 -0.463127D+01
      4  -0.659463D-01 -0.133427D+00 -0.181118D+01 -0.422790D+01  0.194563D+01
      5  -0.102782D+01 -0.428525D-01  0.662869D+01  0.426941D+00 -0.645567D+01
      6   0.122024D+01 -0.292816D-02  0.228591D+01 -0.553142D+00 -0.384771D+01
               256           257           258           259           260 
      1   0.548273D+01 -0.160814D+01 -0.583624D+00  0.261143D+02  0.515225D+01
      2   0.366491D+00  0.848944D+01  0.489740D+01 -0.117755D+02  0.204280D+01
      3  -0.584922D+01 -0.688130D+01 -0.431378D+01 -0.143388D+02 -0.719505D+01
      4   0.187763D+02  0.276343D+02  0.188494D+02  0.250935D+02  0.268627D+02
      5   0.114130D+02  0.197895D+02  0.250784D+02  0.217969D+02  0.268486D+02
      6   0.494559D+01  0.964835D+01  0.122439D+02  0.886593D+01  0.132737D+02
               261           262           263           264           265 
      1  -0.571770D+01  0.195481D+03  0.131128D+02 -0.121698D+02 -0.118113D+02
      2   0.119864D+01 -0.101133D+03 -0.394620D+01  0.718610D+01  0.926544D+01
      3   0.451906D+01 -0.943488D+02 -0.916660D+01  0.498372D+01  0.254583D+01
      4   0.248570D+02  0.359664D+02  0.186103D+02 -0.221108D+01  0.161887D+02
      5   0.494104D+02 -0.145995D+02 -0.940531D+00  0.182915D+02  0.763260D+00
      6   0.180112D+02 -0.211004D+01 -0.815396D+00  0.305443D+01 -0.695659D+00
               266           267           268           269           270 
      1   0.146153D+02  0.110188D+01 -0.133984D+02 -0.437071D+00  0.141829D+02
      2  -0.730750D+01 -0.853073D+00  0.801442D+01  0.100807D+00 -0.806352D+01
      3  -0.730778D+01 -0.248802D+00  0.538400D+01  0.336263D+00 -0.611941D+01
      4  -0.116249D+01 -0.137742D+01 -0.253362D+01 -0.163751D+01  0.575391D+01
      5  -0.159120D+01  0.863225D+00  0.216407D+02  0.482680D+01 -0.424142D+01
      6  -0.104882D+00  0.182344D+01  0.312465D+01  0.276357D+01 -0.744124D+00
               271           272           273           274           275 
      1  -0.255739D+01  0.491444D+01 -0.124551D+02  0.505964D+01 -0.712898D+01
      2   0.636559D+00 -0.471593D+01  0.542290D+01 -0.547677D+00  0.109208D+02
      3   0.192083D+01 -0.198506D+00  0.703216D+01 -0.451196D+01 -0.379179D+01
      4  -0.396160D+01 -0.764739D+01  0.200091D+01  0.163158D+02  0.287070D+02
      5  -0.531654D+01  0.331377D+01 -0.111967D+02 -0.818294D+01 -0.200375D+02
      6  -0.175117D+01  0.340350D+01 -0.643155D+01 -0.451640D+01 -0.126104D+02
               276           277           278           279 
      1   0.729375D+01 -0.219064D+02  0.186132D+01 -0.128887D+02
      2  -0.714754D+01  0.104462D+02 -0.381516D+01  0.249941D+01
      3  -0.146206D+00  0.114601D+02  0.195384D+01  0.103893D+02
      4  -0.202580D+02 -0.189431D+02 -0.244381D+02  0.250002D+02
      5   0.259623D+02  0.171594D+02  0.262536D+02 -0.431786D+02
      6   0.145254D+02  0.787579D+01  0.151197D+02 -0.192905D+02
 Leave Link  716 at Fri Aug 13 00:36:02 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.296082D+03 -0.914783D+01 -0.129695D+02
      2  -0.914783D+01  0.170287D+03  0.210864D+01
      3  -0.129695D+02  0.210864D+01  0.118656D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.295933D+01 -0.246128D+02  0.289702D+01
      2   0.445784D+02  0.775069D+00  0.308796D+02
      3   0.752098D+02  0.664960D+02 -0.253042D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.268856D+03 -0.850644D+02  0.420461D+02
      2   0.843533D+02  0.665614D+02  0.553597D+01
      3   0.184502D+03  0.185030D+02 -0.475821D+02
      4  -0.764794D+02 -0.164502D+03 -0.123273D+01
      5  -0.326172D+02 -0.263158D+01  0.749416D+02
      6  -0.364607D+01 -0.448475D+02 -0.121571D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.321260D+02 -0.206999D+01 -0.200388D+01  0.469867D+02 -0.794298D+01
      2  -0.206999D+01 -0.303258D+00  0.326023D+00 -0.794298D+01  0.852503D+01
      3  -0.200388D+01  0.326023D+00 -0.187009D+00 -0.364684D+01  0.789169D+00
                 6             7             8             9            10 
      1  -0.364684D+01 -0.119190D+01 -0.525579D-01  0.108659D+01 -0.356971D+02
      2   0.789169D+00 -0.525579D-01  0.155204D+00  0.121422D+01  0.284300D+01
      3   0.584256D-01  0.108659D+01  0.121422D+01 -0.730222D-01  0.221833D+01
                11            12            13            14            15 
      1   0.284300D+01  0.221833D+01 -0.468838D+02  0.731880D+01  0.369651D+01
      2  -0.411372D+01 -0.226259D+00  0.731880D+01 -0.684281D+01 -0.830289D+00
      3  -0.226259D+00  0.388050D-01  0.369651D+01 -0.830289D+00  0.394371D-01
                16            17            18            19            20 
      1   0.175815D+01 -0.104469D+00 -0.121734D+01 -0.419323D+02  0.525694D+01
      2  -0.104469D+00  0.254905D+00 -0.960306D+00  0.525694D+01 -0.450528D+01
      3  -0.121734D+01 -0.960306D+00 -0.864915D-02  0.214528D+01 -0.294804D+00
                21            22            23            24            25 
      1   0.214528D+01  0.183942D+02 -0.201026D+01 -0.305349D+00  0.411420D+01
      2  -0.294804D+00 -0.201026D+01  0.355011D+01  0.270676D+00  0.204890D+00
      3  -0.491937D+00 -0.305349D+00  0.270676D+00  0.223353D+01  0.117699D+01
                26            27            28            29            30 
      1   0.204890D+00  0.117699D+01  0.459009D+02 -0.303010D+01 -0.151163D+01
      2   0.268142D+00  0.391028D+01 -0.303010D+01  0.375368D+01  0.294180D+00
      3   0.391028D+01  0.495243D-01 -0.151163D+01  0.294180D+00  0.225420D+01
                31            32            33            34            35 
      1  -0.575791D+01  0.650141D+00  0.175809D+00 -0.777074D+00  0.132991D+00
      2   0.650141D+00 -0.810152D+01 -0.610775D+00  0.132991D+00 -0.100330D+01
      3   0.175809D+00 -0.610775D+00 -0.611072D+00  0.643308D+01 -0.771545D+00
                36            37            38            39            40 
      1   0.643308D+01  0.839391D+01  0.883294D-01 -0.327998D+00 -0.869451D+01
      2  -0.771545D+00  0.883294D-01  0.857079D+01  0.265944D+00  0.203632D+01
      3  -0.994789D+00 -0.327998D+00  0.265944D+00  0.160881D+01  0.236037D-01
                41            42            43            44            45 
      1   0.203632D+01  0.236037D-01 -0.108431D+01 -0.124134D+00  0.437741D+01
      2   0.384379D+01  0.133563D+00 -0.124134D+00 -0.651411D+00 -0.235555D+01
      3   0.133563D+00 -0.106546D+01  0.437741D+01 -0.235555D+01 -0.127213D+01
                46            47            48            49            50 
      1  -0.117649D+02  0.845232D+00  0.106863D+01 -0.938583D+00  0.111768D+01
      2   0.845232D+00 -0.543513D+01 -0.842849D+00  0.111768D+01 -0.548619D+00
      3   0.106863D+01 -0.842849D+00 -0.130284D+01  0.377734D-01 -0.246672D-02
                51            52            53            54            55 
      1   0.377734D-01  0.788091D+00 -0.496416D+00 -0.128237D+01  0.139735D+02
      2  -0.246672D-02 -0.496416D+00  0.663666D+00 -0.400315D+01 -0.307906D+01
      3  -0.138046D+01 -0.128237D+01 -0.400315D+01  0.650683D-03 -0.106098D+01
                56            57            58            59            60 
      1  -0.307906D+01 -0.106098D+01 -0.781964D+00 -0.102688D+01  0.200618D+00
      2   0.991758D+01  0.653127D+00 -0.102688D+01 -0.140355D+00 -0.491737D-01
      3   0.653127D+00  0.139829D+01  0.200618D+00 -0.491737D-01  0.142184D+01
                61            62            63            64            65 
      1  -0.106825D+01  0.559006D+00  0.112096D+01  0.108751D+01  0.213862D+01
      2   0.559006D+00 -0.105367D+01  0.400789D+01  0.213862D+01  0.152820D+01
      3   0.112096D+01  0.400789D+01 -0.173406D+00 -0.694807D-01 -0.166767D+00
                66            67            68            69            70 
      1  -0.694807D-01  0.243230D+01  0.291321D+01 -0.142023D+00 -0.221824D+00
      2  -0.166767D+00  0.291321D+01  0.751784D+01 -0.236464D+00 -0.172693D+00
      3   0.177823D+00 -0.142023D+00 -0.236464D+00  0.816097D+00 -0.915801D-01
                71            72            73            74            75 
      1  -0.172693D+00 -0.915801D-01  0.586373D+01 -0.287014D+01 -0.565241D+00
      2  -0.498975D-01  0.725137D-01 -0.287014D+01  0.265368D+01  0.260363D+00
      3   0.725137D-01 -0.584659D-01 -0.565241D+00  0.260363D+00  0.543775D+00
                76            77            78            79            80 
      1  -0.400334D+01  0.405135D+01  0.479411D+00 -0.595557D+00  0.193329D+00
      2   0.405135D+01 -0.494903D+01 -0.456418D+00  0.193329D+00 -0.196254D+00
      3   0.479411D+00 -0.456418D+00 -0.759335D+00 -0.393058D+00 -0.199171D+00
                81            82            83            84            85 
      1  -0.393058D+00 -0.100957D+01 -0.150493D+01  0.418364D-01 -0.779133D+00
      2  -0.199171D+00 -0.150493D+01 -0.202252D+01  0.592138D-01 -0.138330D+01
      3   0.479792D-01  0.418364D-01  0.592138D-01 -0.196579D+00 -0.616653D-01
                86            87            88            89            90 
      1  -0.138330D+01 -0.616653D-01  0.174007D+00  0.116202D+00  0.102611D+00
      2  -0.985607D+01 -0.141848D+00  0.116202D+00 -0.332333D-01 -0.147349D+00
      3  -0.141848D+00 -0.883352D+00  0.102611D+00 -0.147349D+00 -0.281210D-01
                91            92            93            94            95 
      1  -0.150335D+02  0.184866D+01  0.618897D-01  0.199695D+01 -0.577344D+00
      2   0.184866D+01 -0.348448D+00 -0.894215D-01 -0.577344D+00 -0.489378D+01
      3   0.618897D-01 -0.894215D-01 -0.328920D+01 -0.105086D+01  0.640069D-01
                96            97            98            99           100 
      1  -0.105086D+01 -0.256685D+00 -0.483026D+00 -0.755876D+01 -0.660113D+01
      2   0.640069D-01 -0.483026D+00 -0.322087D+00  0.130750D+01 -0.221745D+01
      3   0.116827D+01 -0.755876D+01  0.130750D+01  0.787217D-01  0.128733D+01
               101           102           103           104           105 
      1  -0.221745D+01  0.128733D+01 -0.567759D+01  0.622281D+00  0.861038D+00
      2   0.289866D+00 -0.275050D+00  0.622281D+00  0.438007D+01  0.119020D+01
      3  -0.275050D+00  0.340795D+01  0.861038D+00  0.119020D+01 -0.265292D+01
               106           107           108           109           110 
      1  -0.453919D+01  0.502842D+00  0.531173D+01 -0.717053D+01  0.235766D+01
      2   0.502842D+00  0.589758D+00 -0.215116D+01  0.235766D+01 -0.769544D+00
      3   0.531173D+01 -0.215116D+01 -0.369947D+00  0.102685D-02  0.327932D+00
               111           112           113           114           115 
      1   0.102685D-02  0.192334D+01 -0.596929D+00  0.691898D+00  0.703118D+01
      2   0.327932D+00 -0.596929D+00  0.104687D+01  0.237025D+00 -0.331986D+00
      3   0.108177D+01  0.691898D+00  0.237025D+00 -0.534442D+00  0.416302D+01
               116           117           118           119           120 
      1  -0.331986D+00  0.416302D+01 -0.105909D+01  0.135585D+01  0.439056D-01
      2   0.932932D+00 -0.514806D+00  0.135585D+01  0.783917D+00 -0.988420D-01
      3  -0.514806D+00  0.414277D+00  0.439056D-01 -0.988420D-01  0.823063D+00
               121           122           123           124           125 
      1   0.314797D+01  0.187844D+01 -0.529249D-02  0.495749D+00 -0.444307D-01
      2   0.187844D+01  0.644458D+01 -0.289767D+00 -0.444307D-01 -0.103788D-01
      3  -0.529249D-02 -0.289767D+00  0.143441D+01  0.117236D+01  0.817215D+00
               126           127           128           129           130 
      1   0.117236D+01  0.142939D+02  0.125896D+01 -0.327208D+01  0.278746D+01
      2   0.817215D+00  0.125896D+01  0.114474D+01 -0.171978D+00  0.141445D+01
      3  -0.260083D+00 -0.327208D+01 -0.171978D+00  0.216418D+01 -0.814039D+00
               131           132           133           134           135 
      1   0.141445D+01 -0.814039D+00 -0.991576D+00 -0.181249D+00  0.102893D+01
      2   0.258923D+00 -0.456038D+00 -0.181249D+00 -0.111616D-01  0.403247D+00
      3  -0.456038D+00  0.879008D+00  0.102893D+01  0.403247D+00 -0.408110D+00
               136           137           138           139           140 
      1  -0.518261D+00  0.524317D+00 -0.846315D+00  0.131306D+01 -0.733647D-01
      2   0.524317D+00 -0.636259D+00  0.505184D+00 -0.733647D-01  0.744157D+00
      3  -0.846315D+00  0.505184D+00 -0.299339D+01 -0.227773D+00 -0.149338D+01
               141           142           143           144           145 
      1  -0.227773D+00 -0.662252D+00 -0.287403D-01 -0.439592D+00  0.711054D+00
      2  -0.149338D+01 -0.287403D-01 -0.125897D+01  0.153505D+01 -0.739233D+00
      3   0.271051D+01 -0.439592D+00  0.153505D+01 -0.670447D+01 -0.148895D+00
               146           147           148           149           150 
      1  -0.739233D+00 -0.148895D+00 -0.237203D+01  0.811037D+00  0.930987D+00
      2   0.299191D-01  0.272908D-01  0.811037D+00 -0.596768D+01 -0.165265D+01
      3   0.272908D-01 -0.503480D+00  0.930987D+00 -0.165265D+01 -0.203120D+01
               151           152           153           154           155 
      1   0.106197D+00  0.233646D+00 -0.149722D+00  0.193745D+02 -0.343313D+01
      2   0.233646D+00 -0.719974D+00 -0.770982D+00 -0.343313D+01  0.221886D+01
      3  -0.149722D+00 -0.770982D+00 -0.697657D+00  0.929795D+00 -0.280838D+00
               156           157           158           159           160 
      1   0.929795D+00 -0.599715D+01  0.455274D+01 -0.570649D+00  0.134659D+01
      2  -0.280838D+00  0.455274D+01 -0.308791D+01  0.219046D+00 -0.324223D+00
      3   0.294135D+01 -0.570649D+00  0.219046D+00 -0.105855D+01  0.251581D+01
               161           162           163           164           165 
      1  -0.324223D+00  0.251581D+01  0.115256D+02 -0.123612D+01  0.381262D+01
      2  -0.297201D+00 -0.842554D+00 -0.123612D+01  0.982520D-01  0.219444D+00
      3  -0.842554D+00 -0.232162D+00  0.381262D+01  0.219444D+00  0.108369D+01
               166           167           168           169           170 
      1  -0.351337D+01  0.248678D+00 -0.654614D+00  0.155303D+01  0.500247D+00
      2   0.248678D+00  0.198299D+00  0.143672D+01  0.500247D+00  0.546688D+00
      3  -0.654614D+00  0.143672D+01 -0.514193D+00  0.765650D+00  0.308950D+00
               171           172           173           174           175 
      1   0.765650D+00 -0.101465D+02  0.934885D+00 -0.203123D+01  0.287693D+01
      2   0.308950D+00  0.934885D+00 -0.343591D+00 -0.212916D+00 -0.109639D+00
      3   0.745111D+01 -0.203123D+01 -0.212916D+00 -0.285037D+01  0.582844D+00
               176           177           178           179           180 
      1  -0.109639D+00  0.582844D+00 -0.514079D+01 -0.750894D-02 -0.199483D+01
      2   0.569295D+00  0.697952D+00 -0.750894D-02  0.942922D+00  0.214271D+00
      3   0.697952D+00  0.102392D+01 -0.199483D+01  0.214271D+00  0.389305D+00
               181           182           183           184           185 
      1  -0.125251D+02  0.925971D+00  0.459822D+00  0.590110D+01 -0.833632D-01
      2   0.925971D+00 -0.106754D+02  0.133076D+00 -0.833632D-01 -0.652981D+01
      3   0.459822D+00  0.133076D+00 -0.169347D+01 -0.242964D+00 -0.757554D-01
               186           187           188           189           190 
      1  -0.242964D+00  0.330412D+00  0.262733D+00 -0.511027D+01 -0.361526D+02
      2  -0.757554D-01  0.262733D+00  0.622712D+00  0.290616D+01  0.968319D+00
      3   0.997382D+00 -0.511027D+01  0.290616D+01  0.108263D+01  0.186039D+01
               191           192           193           194           195 
      1   0.968319D+00  0.186039D+01  0.143112D+02 -0.558649D+00 -0.812431D+00
      2  -0.658427D+01 -0.126516D+00 -0.558649D+00  0.140720D+02  0.121636D+00
      3  -0.126516D+00 -0.290709D+01 -0.812431D+00  0.121636D+00  0.370226D+00
               196           197           198           199           200 
      1   0.220197D+01  0.125571D+00 -0.673913D+01  0.399013D+02 -0.418133D+01
      2   0.125571D+00  0.828120D+00  0.702325D+00 -0.418133D+01  0.829402D+01
      3  -0.673913D+01  0.702325D+00  0.126915D+01 -0.277988D+01  0.134601D-01
               201           202           203           204           205 
      1  -0.277988D+01 -0.172825D+02 -0.507502D+00  0.107945D+01 -0.376648D+01
      2   0.134601D-01 -0.507502D+00 -0.545132D+01  0.813390D-01 -0.479154D-02
      3   0.294405D+00  0.107945D+01  0.813390D-01 -0.223479D+01  0.448237D+00
               206           207           208           209           210 
      1  -0.479154D-02  0.448237D+00  0.553041D+01  0.123072D+01 -0.396069D+00
      2  -0.647730D+00 -0.387999D+01  0.123072D+01  0.173581D+01  0.547862D-01
      3  -0.387999D+01 -0.316835D+00 -0.396069D+00  0.547862D-01  0.134306D+00
               211           212           213           214           215 
      1   0.210184D+01 -0.160919D+01 -0.284137D+00 -0.479635D+00 -0.851818D-01
      2  -0.160919D+01  0.184841D+01  0.193416D+00 -0.851818D-01 -0.127781D+00
      3  -0.284137D+00  0.193416D+00 -0.831966D+00 -0.474434D+00  0.419558D+00
               216           217           218           219           220 
      1  -0.474434D+00  0.309900D+01 -0.132004D+01 -0.455635D+00 -0.351110D+01
      2   0.419558D+00 -0.132004D+01 -0.278382D+01  0.408753D+00  0.466841D-01
      3   0.680026D-01 -0.455635D+00  0.408753D+00 -0.203684D+01  0.730650D+00
               221           222           223           224           225 
      1   0.466841D-01  0.730650D+00 -0.275258D+00  0.443099D+00  0.618329D+00
      2  -0.102526D+01 -0.239474D+00  0.443099D+00  0.452407D-01  0.389133D+01
      3  -0.239474D+00  0.525904D+01  0.618329D+00  0.389133D+01  0.402367D+00
               226           227           228           229           230 
      1   0.782367D+00  0.126885D+01 -0.434456D-01  0.403973D+00  0.754086D+00
      2   0.126885D+01  0.227308D+01 -0.569563D-01  0.754086D+00  0.104041D+02
      3  -0.434456D-01 -0.569563D-01  0.196993D+00  0.569911D-01  0.860871D-01
               231           232           233           234           235 
      1   0.569911D-01 -0.778850D-01 -0.682951D-01 -0.219029D+00 -0.704043D+01
      2   0.860871D-01 -0.682951D-01  0.436922D-01  0.194753D+00  0.444234D+01
      3   0.892456D+00 -0.219029D+00  0.194753D+00  0.528215D-01  0.640831D+00
               236           237           238           239           240 
      1   0.444234D+01  0.640831D+00  0.512890D+01 -0.503878D+01 -0.458512D+00
      2  -0.388120D+01 -0.401739D+00 -0.503878D+01  0.584869D+01  0.498492D+00
      3  -0.401739D+00 -0.716298D+00 -0.458512D+00  0.498492D+00  0.840891D+00
               241           242           243           244           245 
      1   0.739154D+00 -0.453318D+00  0.247491D+00 -0.172024D+01 -0.218620D+01
      2  -0.453318D+00  0.430479D+00  0.322796D+00 -0.218620D+01 -0.118400D+01
      3   0.247491D+00  0.322796D+00  0.321159D-01  0.712167D-01  0.160458D+00
               246           247           248           249           250 
      1   0.712167D-01 -0.317984D+01 -0.305482D+01  0.120900D+00  0.322984D-01
      2   0.160458D+00 -0.305482D+01 -0.659324D+01  0.818801D-01  0.122563D+00
      3  -0.923899D-01  0.120900D+00  0.818801D-01 -0.619055D+00 -0.815566D-01
               251           252           253           254           255 
      1   0.122563D+00 -0.815566D-01  0.395797D+00  0.414169D+00 -0.673570D+00
      2  -0.593610D-01  0.121415D+00  0.414169D+00  0.517888D+00  0.200660D-01
      3   0.121415D+00  0.276402D-02 -0.673570D+00  0.200660D-01  0.880693D+00
               256           257           258           259           260 
      1  -0.743133D+00 -0.149641D+01 -0.100290D+01 -0.345931D+01 -0.202775D+01
      2  -0.149641D+01 -0.260729D+01 -0.183637D+01 -0.202775D+01 -0.248273D+01
      3  -0.100290D+01 -0.183637D+01 -0.229321D+01 -0.182477D+01 -0.253586D+01
               261           262           263           264           265 
      1  -0.182477D+01 -0.153600D+02 -0.133914D+01  0.102594D+01  0.107277D+01
      2  -0.253586D+01 -0.133914D+01 -0.113177D+01  0.736696D-01 -0.105597D+01
      3  -0.470720D+01  0.102594D+01  0.736696D-01 -0.123121D+01 -0.865950D-01
               266           267           268           269           270 
      1  -0.105597D+01 -0.865950D-01  0.115348D+01  0.867491D-01 -0.149586D+01
      2   0.247458D+00  0.108006D+00  0.867491D-01  0.124567D+00 -0.455732D+00
      3   0.108006D+00 -0.959164D-01 -0.149586D+01 -0.455732D+00  0.327402D+00
               271           272           273           274           275 
      1   0.771914D+00  0.504049D+00  0.517481D+00 -0.662761D+00 -0.129050D+01
      2   0.504049D+00  0.907936D+00 -0.558036D+00 -0.129050D+01 -0.290486D+01
      3   0.517481D+00 -0.558036D+00  0.146200D+01  0.698165D+00  0.216166D+01
               276           277           278           279 
      1   0.698165D+00  0.276346D+01  0.150690D+01 -0.149693D+01
      2   0.216166D+01  0.150690D+01  0.247611D+01 -0.276132D+01
      3  -0.257953D+01 -0.149693D+01 -0.276132D+01  0.463622D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243469D+01  0.308032D+01 -0.945703D-02  0.522726D+01 -0.315670D+01
      2   0.689819D+01 -0.393416D+00 -0.322737D+00  0.103393D+02 -0.130847D+01
      3   0.344902D+02  0.278289D+02 -0.190170D+01  0.514916D+02 -0.168344D+02
                 6             7             8             9            10 
      1  -0.772762D+00 -0.371269D+01  0.714806D+01  0.450008D+00 -0.881780D+00
      2   0.638199D+00 -0.185388D+02  0.174007D+01  0.145049D+01 -0.114383D+02
      3  -0.373637D+01 -0.553639D+00 -0.343359D+01  0.199215D+01 -0.160926D+02
                11            12            13            14            15 
      1   0.422008D+01  0.383804D+00  0.230684D+01 -0.764637D+00  0.265860D+00
      2   0.459296D+00 -0.389549D+01 -0.111146D+02  0.167347D+01  0.588362D+00
      3   0.332713D+02  0.136054D+01  0.393351D+02 -0.229562D+02 -0.342456D+01
                16            17            18            19            20 
      1  -0.297428D+01  0.820230D+01  0.343187D+00 -0.362156D+01 -0.799432D+00
      2  -0.193018D+02  0.979538D+00  0.153514D+01 -0.128782D+02  0.226510D+01
      3   0.243299D+01 -0.362798D+01 -0.124951D+01 -0.445728D+02 -0.205636D+02
                21            22            23            24            25 
      1   0.827776D+00 -0.478526D+00 -0.130148D+01 -0.266902D+01 -0.589212D+01
      2  -0.217918D+00  0.596161D+01 -0.107220D+01  0.188996D+01 -0.177479D+02
      3   0.256292D+01  0.152102D+02 -0.224484D+01 -0.404019D+00  0.283987D+01
                26            27            28            29            30 
      1  -0.180074D+00 -0.166201D+01 -0.142358D+00  0.106265D+01 -0.112313D+00
      2   0.758448D+01  0.153307D+01  0.148168D+02 -0.118804D+01  0.119712D+01
      3   0.221049D+01 -0.362899D+01  0.180205D+02  0.499007D+01 -0.964569D+00
                31            32            33            34            35 
      1   0.465731D+01  0.260288D+01  0.197405D+01 -0.235869D+01  0.135459D+02
      2  -0.472080D+00  0.113527D+00 -0.155240D+01 -0.126461D+02  0.157622D+01
      3   0.210147D+02  0.571363D+00  0.298685D+00  0.117522D+01 -0.160557D+01
                36            37            38            39            40 
      1   0.116467D+01 -0.452293D+00 -0.200377D+01  0.317742D+01 -0.134408D+01
      2   0.163500D+01  0.824904D+00 -0.275839D+00  0.139802D+01 -0.375644D+01
      3   0.394345D+01 -0.220595D+02 -0.143834D+01  0.493900D+00 -0.552574D+01
                41            42            43            44            45 
      1  -0.212171D+01 -0.797183D+00  0.147959D+02  0.645426D+01 -0.975331D+00
      2   0.908058D+00 -0.121556D+01 -0.108058D+02 -0.623631D+01  0.145251D+01
      3  -0.663668D+01 -0.102945D+01 -0.856004D+00 -0.122772D+01 -0.510642D+01
                46            47            48            49            50 
      1   0.172579D+01 -0.906095D+00 -0.341998D+01 -0.109572D+01  0.192340D+01
      2  -0.360781D+01  0.219427D+00  0.114348D+01  0.341090D-01  0.547624D-01
      3   0.401179D+02 -0.288358D+02 -0.239614D+01 -0.972492D+01  0.210440D+02
                51            52            53            54            55 
      1  -0.233603D+01 -0.868641D+01 -0.270264D+01  0.259951D+01  0.178592D+01
      2  -0.652582D+00 -0.178068D+02 -0.147940D+00  0.744030D+00 -0.212135D+00
      3   0.145649D+01 -0.305710D+01  0.260565D+01  0.580015D+01  0.272133D+02
                56            57            58            59            60 
      1  -0.349045D+01 -0.426698D+01  0.145180D+00  0.195934D+01 -0.244615D+01
      2  -0.110403D+01 -0.355926D+01  0.349465D+00 -0.417687D+00 -0.350432D+01
      3  -0.148321D+02 -0.822364D+00 -0.279742D+00  0.207491D+02  0.150625D+00
                61            62            63            64            65 
      1  -0.801178D+01 -0.406347D+01  0.111743D+01 -0.510818D+00  0.578300D-01
      2  -0.224346D+02 -0.623459D+01  0.175445D+01  0.774968D-01  0.400058D+00
      3  -0.984149D+00  0.152382D+01  0.129978D+02  0.114095D+00  0.682169D+00
                66            67            68            69            70 
      1  -0.113302D+01 -0.501483D+00 -0.161233D+01 -0.395692D+01  0.777574D-01
      2   0.334183D+00  0.619884D+00  0.534908D+00  0.141666D+01 -0.157257D+01
      3   0.143222D+00  0.502942D+01 -0.477880D+01 -0.426209D-01  0.515548D-01
                71            72            73            74            75 
      1   0.208492D+01  0.272652D+00 -0.430734D+00 -0.599506D+00  0.253553D+01
      2  -0.903728D+00 -0.571280D-01  0.200449D+01 -0.881256D+00  0.163543D+01
      3  -0.297043D+00  0.646147D+00 -0.870019D+01 -0.163430D+00  0.670786D+00
                76            77            78            79            80 
      1  -0.887997D+00  0.137030D+01 -0.281074D+01 -0.201650D+01  0.143308D+01
      2  -0.120381D+01  0.106553D+01 -0.236338D+01 -0.256541D+01  0.856049D-01
      3   0.202610D+01  0.247234D+01 -0.472528D-01  0.156571D+01  0.931437D-01
                81            82            83            84            85 
      1   0.126817D+00  0.780026D+00  0.882035D+00 -0.125136D+01  0.371672D+00
      2  -0.196860D-01 -0.259731D+00 -0.360811D+00  0.662170D+00 -0.232806D+00
      3   0.765835D+00  0.496843D+01  0.229322D+01 -0.259149D+00  0.534923D+01
                86            87            88            89            90 
      1   0.269881D+01 -0.443190D+01  0.132160D+01  0.199140D+01 -0.112312D+00
      2  -0.463022D+00  0.103766D+01 -0.401045D+00  0.776871D+00  0.155850D-01
      3   0.355867D+01  0.807630D-01 -0.556895D+00 -0.245722D+00 -0.115396D+01
                91            92            93            94            95 
      1  -0.220691D+01  0.699717D+00  0.786797D+00  0.219301D+01  0.189807D+01
      2  -0.104699D+02  0.857678D+00 -0.732771D+01 -0.781402D+00 -0.710444D+00
      3  -0.107775D+02 -0.365477D+01  0.807558D-01  0.101137D+02  0.217272D+02
                96            97            98            99           100 
      1  -0.255924D+01  0.291479D+01  0.348305D+01 -0.903819D+00  0.404787D+01
      2   0.306364D+01 -0.343556D+02  0.436269D+01 -0.301188D+01 -0.119017D+02
      3  -0.102252D+01  0.626737D+00  0.725825D+00 -0.841687D+01  0.138150D+02
               101           102           103           104           105 
      1  -0.224418D+01  0.658813D+00  0.162589D+00 -0.103892D+02 -0.632427D+01
      2  -0.426414D+01  0.202322D+02 -0.289170D+01  0.581429D+01 -0.102332D+02
      3  -0.549184D+01 -0.567478D+00 -0.592862D+00 -0.222327D+02 -0.557782D+01
               106           107           108           109           110 
      1  -0.116410D+01 -0.789636D+00  0.663456D+01  0.534553D+01 -0.202213D+01
      2   0.150329D+02 -0.854147D+01  0.718609D+01  0.145497D+02 -0.179149D+01
      3  -0.333637D+01 -0.441402D+01  0.102199D+02  0.754587D+00  0.132943D+02
               111           112           113           114           115 
      1  -0.762523D+01 -0.106087D+02  0.272674D+01 -0.133488D+02 -0.700454D+01
      2   0.278228D+01  0.912623D-01  0.171709D+01  0.692623D+01  0.106985D+02
      3   0.200442D+01  0.178082D+02 -0.148915D+02  0.129830D+01  0.530907D+01
               116           117           118           119           120 
      1  -0.405270D+01 -0.250411D+01 -0.643527D+00 -0.603853D+00 -0.323635D+00
      2   0.164657D+01  0.911689D+00 -0.269669D+00  0.348649D+00  0.332451D+01
      3   0.838878D-01  0.444475D+01 -0.728274D+01 -0.260788D+01  0.224315D+00
               121           122           123           124           125 
      1  -0.850925D+00 -0.346906D+01 -0.253802D+01 -0.243439D+00  0.325803D+00
      2   0.125266D+01  0.453262D+00  0.459896D+01  0.223662D+01  0.239007D+01
      3  -0.131161D+01 -0.230515D+02  0.863848D+00  0.828103D+00 -0.148429D+00
               126           127           128           129           130 
      1   0.768166D-01 -0.214792D+01 -0.321195D+01 -0.441159D-01 -0.279202D+01
      2  -0.292220D+00  0.117766D+02  0.173153D+01  0.667227D+01  0.155046D+01
      3  -0.195630D+01 -0.512814D+01 -0.773946D+01  0.676596D+00 -0.509018D+01
               131           132           133           134           135 
      1  -0.110279D+00 -0.147447D+00  0.627830D+00  0.801732D+00 -0.817911D+00
      2   0.469162D+00  0.268490D+01  0.177192D+01  0.961610D+00  0.591359D+00
      3  -0.456052D+00  0.175112D+01  0.457259D+00  0.152335D+01 -0.158184D+01
               136           137           138           139           140 
      1  -0.169234D+01  0.274411D+01 -0.906312D+00  0.108564D+01 -0.204549D+01
      2  -0.673270D+01  0.331374D+01 -0.126912D+02  0.239044D+01 -0.615409D+01
      3  -0.277943D+01  0.243772D+01 -0.189475D+01  0.205469D+01 -0.249456D+01
               141           142           143           144           145 
      1   0.192606D+01 -0.593431D-01  0.460051D+01 -0.329693D+01  0.236273D+01
      2   0.103315D+02 -0.616377D+01  0.653918D+01 -0.268634D+02 -0.149646D+00
      3   0.547551D+01  0.112180D+00  0.431381D+01 -0.602731D+01  0.432695D+01
               146           147           148           149           150 
      1   0.321152D+00 -0.378562D+00 -0.286128D+00  0.136781D+02  0.337986D+00
      2  -0.122879D+01 -0.164935D+01 -0.100429D+01 -0.549796D+01 -0.644294D+01
      3   0.516984D+00 -0.394953D+00  0.119147D+01  0.259629D+02  0.603685D+01
               151           152           153           154           155 
      1  -0.492344D+00  0.225979D+01  0.123853D+01 -0.441670D+01  0.274188D+01
      2  -0.118803D+01 -0.240452D+01 -0.284436D+01 -0.881125D+01  0.138470D+01
      3  -0.161539D+01  0.252914D+01  0.318867D+01  0.121704D+02 -0.224616D+02
               156           157           158           159           160 
      1   0.404098D+01  0.755851D+01 -0.371768D+01 -0.823765D+00  0.184531D+01
      2   0.216912D+02 -0.252215D+01 -0.203340D+01 -0.930005D+01  0.705710D+01
      3   0.834426D-01 -0.178159D+02  0.182956D+02 -0.139868D+01  0.200517D+00
               161           162           163           164           165 
      1   0.294411D+01 -0.708168D+00 -0.688034D+01  0.219422D+01  0.631097D+00
      2  -0.354413D+01 -0.255354D+01 -0.100967D+02  0.410731D+01  0.128015D+01
      3  -0.111921D+01  0.325301D+01  0.961157D+01 -0.424166D+01  0.439129D+00
               166           167           168           169           170 
      1   0.562955D+01 -0.170083D+00  0.416151D+01 -0.138299D+01  0.844726D+01
      2   0.565475D+01  0.494765D+01 -0.278087D+01 -0.694540D+01  0.101455D+01
      3  -0.227823D+01  0.414704D-01 -0.710432D+01 -0.113308D+01 -0.250376D+01
               171           172           173           174           175 
      1  -0.784650D+00  0.717230D+01 -0.243957D+01  0.163724D+01 -0.611236D+01
      2   0.253284D+02  0.206592D+02 -0.357118D+01 -0.607127D+01 -0.540049D+01
      3  -0.143487D+01 -0.825953D+01  0.245930D+01 -0.100688D+01  0.654926D+01
               176           177           178           179           180 
      1   0.626175D+00 -0.238503D+01  0.186912D+01 -0.706959D+00  0.870326D+00
      2   0.318172D+01  0.254409D+01 -0.917886D+00  0.360348D+00  0.287415D+01
      3  -0.107701D+01 -0.710966D+00 -0.359703D+01  0.382677D+00 -0.151529D+01
               181           182           183           184           185 
      1  -0.803847D-01  0.172315D+01  0.437263D+01 -0.787828D+00 -0.107344D+01
      2  -0.143033D+01 -0.249688D+00  0.605237D+01  0.119457D+01  0.122611D+01
      3  -0.217206D+02 -0.101966D+02  0.103687D+01 -0.333069D+01 -0.260150D+02
               186           187           188           189           190 
      1  -0.139513D+01  0.164527D+02  0.694675D+01 -0.227134D+01 -0.154817D+01
      2  -0.157502D+01  0.240348D+01 -0.110502D+02 -0.206235D+01 -0.770239D+01
      3  -0.424565D+00  0.153669D+00 -0.572799D+00 -0.254889D+01 -0.230167D+02
               191           192           193           194           195 
      1   0.410451D+01  0.111493D+01  0.407265D+01 -0.126093D+01  0.300554D+01
      2  -0.301738D+00  0.169249D+00  0.241270D+01 -0.126578D+01 -0.105550D+01
      3   0.180873D+02  0.213640D+01  0.480208D+02  0.226043D+02 -0.337849D+01
               196           197           198           199           200 
      1  -0.244512D+01  0.132801D+02  0.481003D+00  0.986937D-01 -0.318739D+01
      2   0.216100D+01 -0.206311D+01 -0.163534D+01  0.845140D+01  0.211728D+00
      3   0.325311D+01 -0.226689D+01  0.517664D+00  0.527516D+01 -0.220255D+02
               201           202           203           204           205 
      1  -0.299086D+00 -0.985684D+00  0.102750D+01 -0.259442D+01 -0.163403D+01
      2   0.264367D+01 -0.283195D+01 -0.343695D+00  0.442650D+01 -0.214677D+02
      3  -0.135165D+01 -0.148192D+02 -0.140634D+01  0.167927D+01 -0.200790D+01
               206           207           208           209           210 
      1   0.260487D+01  0.399294D+00  0.136343D+01 -0.354659D+01 -0.108051D+01
      2   0.137910D+02  0.204423D+01  0.141349D+01  0.491325D+00  0.103590D+02
      3   0.214030D+01 -0.758676D+01  0.194914D+02 -0.366355D+02 -0.205188D+01
               211           212           213           214           215 
      1  -0.138210D+00  0.153096D+00 -0.640005D+01  0.343817D+01  0.123929D+00
      2   0.102735D+01 -0.464130D+00  0.661811D+01 -0.368644D+01 -0.451666D+01
      3   0.183480D+01  0.492632D+01  0.430611D+00 -0.185686D+01  0.312733D+01
               216           217           218           219           220 
      1  -0.298869D+00 -0.180901D+01  0.539016D+00 -0.306410D+01  0.299891D+00
      2  -0.665123D+00  0.209942D+01 -0.213393D+01  0.114174D+02 -0.334232D+01
      3   0.171334D+01 -0.311688D+02 -0.131769D+02  0.517500D+01 -0.490351D+01
               221           222           223           224           225 
      1   0.100225D+01  0.900585D+01  0.892940D+01  0.107942D+02  0.157310D+01
      2   0.854737D+00 -0.303932D+02 -0.239864D+01 -0.213115D+02 -0.245945D+01
      3   0.143615D+02 -0.124655D+01  0.426567D+01 -0.571713D+00  0.278262D+02
               226           227           228           229           230 
      1   0.276146D+00  0.257767D+00 -0.137686D+01 -0.117489D+00 -0.250264D+00
      2   0.457680D-01  0.127745D+00  0.138959D+00 -0.124230D+00 -0.366893D+00
      3   0.694445D+01  0.634598D+01 -0.402103D+00  0.547247D+01  0.218747D+02
               231           232           233           234           235 
      1  -0.485778D+01  0.102781D+01  0.204794D+01 -0.156942D+00 -0.958259D+00
      2  -0.632612D+00  0.430475D+00  0.152156D+00 -0.107252D+00 -0.148360D+01
      3   0.332525D+00 -0.636399D+00 -0.220502D+00 -0.738152D+00 -0.422039D+00
               236           237           238           239           240 
      1   0.278081D+00  0.260826D+01  0.300572D+00 -0.115193D+00 -0.310621D+01
      2   0.945235D+00  0.381207D+01  0.995494D+00 -0.124240D+01 -0.416394D+01
      3  -0.630686D+01 -0.772983D-01 -0.635644D+01  0.122134D+02  0.874536D+00
               241           242           243           244           245 
      1  -0.248077D+01  0.794547D+00  0.362610D-01  0.350453D+00  0.344817D+00
      2  -0.275016D+01 -0.127470D+01 -0.158807D+00 -0.405569D+00 -0.608604D+00
      3   0.234274D+00  0.705391D+00  0.175361D+01 -0.104557D+01 -0.107197D+01
               246           247           248           249           250 
      1  -0.587202D+00  0.466647D+00  0.199915D+00 -0.303989D+01 -0.271866D+00
      2   0.300008D+00 -0.537289D+00 -0.320498D+00  0.200230D+01 -0.112335D+01
      3   0.177590D+00 -0.196075D+00 -0.159598D+02 -0.138001D+00  0.180560D+00
               251           252           253           254           255 
      1   0.152929D+01  0.718810D-01 -0.788844D+00  0.125914D+00  0.194437D+01
      2  -0.138193D+01  0.483816D-01  0.538757D+01  0.289664D+00 -0.419180D+01
      3  -0.433517D+00  0.708571D+00 -0.334049D+00  0.484330D+01  0.173342D+01
               256           257           258           259           260 
      1  -0.105219D+01 -0.272291D+01 -0.508923D+01 -0.321550D+01 -0.258804D+01
      2   0.481961D+01  0.967801D+01  0.127406D+02  0.530643D+01  0.136906D+02
      3  -0.438814D+01 -0.174339D+02 -0.110823D+02 -0.589528D+01 -0.154099D+02
               261           262           263           264           265 
      1  -0.914038D+01  0.101130D+01 -0.463675D+00 -0.162615D+01 -0.251289D+00
      2   0.252506D+02 -0.230547D+01 -0.108180D+00  0.907017D+01  0.249623D+00
      3  -0.169005D+02  0.108806D+02 -0.849308D+01 -0.923365D+00 -0.509219D+01
               266           267           268           269           270 
      1   0.222882D+00 -0.872653D+00 -0.193792D+01 -0.272995D+00  0.225038D+00
      2  -0.355476D+00  0.583143D+00  0.669906D+01  0.234856D+01 -0.161871D+01
      3   0.287935D+01  0.617247D+00 -0.941233D+00  0.908909D+00 -0.178838D+01
               271           272           273           274           275 
      1   0.457057D+00  0.141373D+00  0.278522D+01  0.299097D+00  0.113827D+01
      2  -0.533560D+01  0.236161D+01 -0.705872D+01 -0.272777D+01 -0.106761D+02
      3  -0.251255D+00  0.774562D+01 -0.504118D+01 -0.275705D+01 -0.193927D+02
               276           277           278           279 
      1  -0.430474D+01 -0.189930D+01 -0.134654D+01  0.700785D+01
      2   0.137748D+02  0.298120D+01  0.141901D+02 -0.235199D+02
      3   0.129360D+02  0.334084D+01  0.152246D+02 -0.181371D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.688110D+02  0.267877D+02  0.463381D+01 -0.873944D+02 -0.169184D+01
      2   0.326671D+02 -0.177895D+02 -0.278644D+01  0.343750D+02  0.133768D+02
      3   0.361439D+02 -0.899817D+01 -0.184737D+01  0.530194D+02 -0.116850D+02
      4  -0.332210D+01  0.193968D+02  0.890464D+00  0.123760D+02 -0.244420D+02
      5   0.501505D+00 -0.138823D+01 -0.200062D+01 -0.390779D+01  0.171076D+01
      6   0.529212D+00 -0.171202D+01  0.414715D+00  0.217336D+01 -0.146986D+01
                 6             7             8             9            10 
      1   0.702969D+01  0.435298D+01 -0.168904D+01 -0.102629D+02  0.691927D+02
      2  -0.237479D+01 -0.248139D+01  0.189370D+01 -0.121447D+01 -0.175336D+02
      3  -0.465489D+01 -0.187159D+01 -0.204652D+00  0.114774D+02 -0.516591D+02
      4  -0.147755D+01  0.183117D+00 -0.173362D+01 -0.212768D+01  0.343200D+02
      5   0.296844D+01  0.812621D+00 -0.754069D+00  0.155783D+01  0.354319D+00
      6  -0.208826D-01  0.293822D+01  0.402260D+01 -0.100159D+01 -0.317059D+01
                11            12            13            14            15 
      1   0.207523D+02 -0.607036D+01  0.958624D+02 -0.236080D+02 -0.771718D+01
      2  -0.171259D+02  0.791991D+00 -0.365722D+02  0.147928D+02  0.322858D+01
      3  -0.362638D+01  0.527837D+01 -0.592902D+02  0.881517D+01  0.448859D+01
      4   0.152172D+02 -0.151999D+01 -0.286601D+02  0.188410D+02  0.220085D+01
      5  -0.141726D+01 -0.979019D+01  0.254396D+01 -0.406657D+00 -0.850180D+00
      6   0.138630D+00  0.105453D+00 -0.454024D+00  0.194684D+01 -0.107115D+01
                16            17            18            19            20 
      1  -0.424533D+01 -0.194779D+01 -0.496151D+01  0.439051D+02 -0.316808D+02
      2  -0.189663D+00  0.136804D+01 -0.362219D+01 -0.142806D+02  0.194571D+02
      3   0.443499D+01  0.579754D+00  0.858370D+01 -0.296244D+02  0.122236D+02
      4  -0.305539D+01 -0.677130D+00  0.377504D+01 -0.761721D+01 -0.243409D+02
      5   0.233729D+01  0.180821D+01  0.217908D+01  0.204495D+01  0.153540D+01
      6   0.186086D+01  0.253370D+01  0.512908D-01 -0.103966D+01  0.533490D+01
                21            22            23            24            25 
      1  -0.693747D+01  0.124076D+02  0.181686D+02  0.261477D+01 -0.449744D+01
      2   0.332369D+01 -0.238687D+02 -0.233069D+02 -0.309027D-01  0.617877D+00
      3   0.361378D+01  0.114612D+02  0.513835D+01 -0.258387D+01  0.387956D+01
      4   0.342417D+00  0.103522D+02 -0.329892D+00 -0.294053D+00  0.255001D+01
      5  -0.287789D+01 -0.154764D+01  0.114545D+00  0.714504D+01  0.987365D+01
      6  -0.390160D+00  0.438240D+00 -0.228806D+01  0.553714D+01  0.293534D+01
                26            27            28            29            30 
      1   0.774991D+01 -0.129365D+02  0.137164D+02 -0.571657D+01  0.300967D+01
      2  -0.281444D+01  0.130230D+01 -0.317171D+02  0.491976D+01 -0.449975D+00
      3  -0.493547D+01  0.116342D+02  0.180007D+02  0.796812D+00 -0.255970D+01
      4   0.201470D+01  0.681634D+01  0.392745D+00  0.135848D+02  0.533194D+00
      5   0.901068D+01  0.297439D+01 -0.802065D+01  0.229244D+01  0.888956D+01
      6   0.141377D+02 -0.230551D+01  0.139175D+01 -0.244878D+01  0.217797D+01
                31            32            33            34            35 
      1   0.406467D+02 -0.476967D+02 -0.209865D+01  0.644758D+01 -0.223693D+01
      2  -0.294348D+02  0.414822D+02  0.214743D+01 -0.674189D+00  0.107167D+01
      3  -0.112119D+02  0.621457D+01 -0.487805D-01 -0.577339D+01  0.116526D+01
      4  -0.321979D+02 -0.173335D+02  0.632405D+00 -0.248523D+01 -0.493630D+00
      5  -0.231891D+01  0.193362D+01 -0.246002D+01  0.308086D+02 -0.400424D+01
      6   0.144299D+01  0.552542D+01 -0.354990D+01  0.424619D+01  0.289949D+01
                36            37            38            39            40 
      1   0.561501D+00 -0.211442D+02  0.524463D+02  0.404412D+01 -0.392835D+02
      2  -0.120321D+02  0.124878D+02 -0.368114D+02 -0.146459D+01  0.401083D+02
      3   0.114706D+02  0.865641D+01 -0.156349D+02 -0.257954D+01 -0.824820D+00
      4  -0.255578D+00  0.259539D+02  0.522401D+01 -0.263148D+01  0.186330D+02
      5  -0.212898D+01  0.358739D+00 -0.470875D+01  0.320591D+01  0.289429D+01
      6  -0.747656D+00 -0.383609D+01 -0.428929D+01 -0.644939D+01 -0.139629D+01
                41            42            43            44            45 
      1   0.271692D+02  0.139972D+01  0.308631D+01 -0.632110D+01 -0.116834D+02
      2  -0.259954D+02 -0.267945D+01  0.268722D+01  0.174919D+01 -0.100777D+01
      3  -0.117378D+01  0.127973D+01 -0.577352D+01  0.457191D+01  0.126912D+02
      4   0.244100D+02  0.183839D+00 -0.382257D+01  0.114751D+01 -0.705850D+01
      5  -0.129736D+01 -0.675140D+01  0.141764D+02 -0.693325D+01 -0.231929D+01
      6  -0.417361D+01  0.214682D+01 -0.179918D+02  0.888136D+01  0.477308D+01
                46            47            48            49            50 
      1   0.298913D+02 -0.440352D+02 -0.603135D+01  0.804749D+01  0.902434D+01
      2  -0.228611D+02  0.301310D+02  0.257592D+01 -0.680506D+01 -0.172755D+02
      3  -0.703021D+01  0.139042D+02  0.345542D+01 -0.124243D+01  0.825114D+01
      4  -0.312944D+02 -0.144160D+02  0.213547D+01  0.181025D+02 -0.797511D+01
      5   0.292826D+01  0.251112D+01  0.918074D+00  0.419346D+00 -0.794816D+00
      6   0.255924D+01  0.623475D+01  0.529970D+01 -0.155657D+01 -0.236348D+00
                51            52            53            54            55 
      1  -0.286784D+00 -0.449174D+01  0.329500D+01 -0.196633D+02 -0.201131D+02
      2  -0.818528D+00  0.250398D+01 -0.510163D+01  0.848054D+01  0.236335D+01
      3   0.110531D+01  0.198776D+01  0.180664D+01  0.111828D+02  0.177497D+02
      4  -0.131222D+01  0.350505D+01  0.313633D+01  0.249121D+01  0.169541D+02
      5   0.176893D+00  0.399684D+01  0.731202D+00  0.251005D+01 -0.327873D+01
      6   0.610307D+01  0.483242D+01  0.199057D+02  0.983338D+00  0.967151D+00
                56            57            58            59            60 
      1  -0.358595D+02 -0.191452D+01  0.643843D-01  0.165962D+02  0.696306D+00
      2   0.330534D+02  0.154948D+01 -0.329023D+01 -0.209776D+02 -0.455555D+00
      3   0.280615D+01  0.365045D+00  0.322584D+01  0.438138D+01 -0.240751D+00
      4  -0.577156D+02 -0.262570D+01  0.138620D+02 -0.787818D+01 -0.135961D+00
      5   0.134067D+01 -0.592527D+01  0.960224D+00 -0.317813D+00 -0.495627D+01
      6   0.316010D+01  0.707140D+01 -0.603596D+00 -0.650974D+00  0.688399D+01
                61            62            63            64            65 
      1  -0.646520D+00  0.297080D+01 -0.272963D+02 -0.142249D+01 -0.369594D+01
      2   0.114047D+01 -0.352658D+01  0.148613D+02  0.534293D+01  0.611191D+01
      3  -0.493953D+00  0.555783D+00  0.124350D+02 -0.392044D+01 -0.241598D+01
      4  -0.159503D+01  0.736724D+01 -0.990871D+01  0.792377D+01  0.112678D+02
      5  -0.228028D+01 -0.149490D+02  0.290492D+01 -0.695418D+00 -0.670255D+00
      6   0.477267D+01  0.245909D+02 -0.144123D+01 -0.117481D+01 -0.141495D+01
                66            67            68            69            70 
      1   0.139522D+00 -0.760623D+01 -0.295033D+02  0.114669D+01 -0.655857D+00
      2  -0.860008D-01  0.119066D+02  0.391610D+02 -0.746850D+00  0.364531D+00
      3  -0.535212D-01 -0.430041D+01 -0.965775D+01 -0.399841D+00  0.291325D+00
      4  -0.414522D+00  0.126805D+02  0.214460D+02 -0.489027D+00 -0.321873D+00
      5   0.137514D+01 -0.641220D+00  0.246355D+00  0.225381D+01 -0.521803D-01
      6   0.139812D+01 -0.165667D+01 -0.467084D+01  0.605058D+01  0.153549D+01
                71            72            73            74            75 
      1  -0.189338D+00 -0.244587D+01  0.683852D+01  0.187827D+01  0.196592D+00
      2   0.844445D-01  0.308787D+01  0.120053D+01 -0.781290D+01  0.447259D-02
      3   0.104893D+00 -0.641992D+00 -0.803906D+01  0.593462D+01 -0.201065D+00
      4  -0.494305D+00  0.781513D+00 -0.208164D+02  0.172890D+02  0.151859D+01
      5  -0.211641D-01 -0.298085D+00 -0.443950D+01  0.190012D+01  0.410995D+01
      6   0.211662D+01 -0.303904D+00  0.272111D+01 -0.251616D+01 -0.256151D+01
                76            77            78            79            80 
      1   0.442086D+01 -0.122866D+02 -0.142956D+01 -0.966272D+00 -0.420634D+00
      2  -0.125423D+02  0.214530D+02  0.103289D+01 -0.119781D+00  0.671536D+00
      3   0.812141D+01 -0.916640D+01  0.396661D+00  0.108605D+01 -0.250902D+00
      4   0.230168D+02 -0.248315D+02 -0.211062D+01  0.149562D+01 -0.122396D+01
      5   0.313667D+01 -0.243466D+01 -0.381901D+01 -0.613590D-01 -0.127322D+01
      6  -0.380323D+01  0.470272D+01  0.501839D+01  0.107976D+01  0.205262D+01
                81            82            83            84            85 
      1   0.966938D-01 -0.370378D+01 -0.730415D+01  0.295760D+00 -0.547124D+01
      2   0.866244D+00  0.627748D+01  0.106427D+02 -0.263206D+00  0.720721D+01
      3  -0.962938D+00 -0.257370D+01 -0.333857D+01 -0.325546D-01 -0.173597D+01
      4  -0.219559D+01  0.455680D+01  0.116977D+02  0.213280D+00  0.759730D+01
      5  -0.190956D+00  0.828965D+00  0.116922D+01  0.185355D+01  0.757130D+00
      6   0.314113D+00  0.602152D+00  0.354955D+00  0.169677D+01  0.796994D+00
                86            87            88            89            90 
      1  -0.447915D+02 -0.892742D+00  0.726701D+00 -0.372928D-01 -0.171068D+01
      2   0.592909D+02  0.485697D+00 -0.523086D+00 -0.605364D-02  0.208870D+01
      3  -0.144994D+02  0.407045D+00 -0.203615D+00  0.433464D-01 -0.378022D+00
      4   0.143561D+02  0.350501D+00 -0.176628D+00 -0.696281D+00  0.181892D+01
      5   0.278688D+01  0.125727D+01  0.848523D+00  0.141222D+01 -0.827373D-01
      6   0.444004D+01  0.715993D+01 -0.376316D+00  0.302090D+01  0.150397D+00
                91            92            93            94            95 
      1  -0.100673D+02  0.691597D+01 -0.932639D+01  0.891532D+01  0.100039D+02
      2   0.178411D+02 -0.746826D+01 -0.914310D+00 -0.120971D+02 -0.174741D+02
      3  -0.777385D+01  0.552298D+00  0.102407D+02  0.318176D+01  0.747020D+01
      4   0.772951D+01 -0.218481D+01 -0.741927D+00 -0.371442D+01 -0.398644D+02
      5  -0.206618D+00 -0.217631D+01 -0.228635D+02 -0.122989D+02  0.194225D+00
      6  -0.209075D+01  0.212595D+01  0.534776D+00 -0.603367D-01  0.561559D+01
                96            97            98            99           100 
      1  -0.579073D+01 -0.420596D+01 -0.579767D+00 -0.249871D+02 -0.654497D+02
      2   0.829979D+01 -0.510092D+01  0.622860D+00  0.199766D+02  0.350389D+02
      3  -0.250905D+01  0.930688D+01 -0.430937D-01  0.501049D+01  0.304108D+02
      4  -0.297085D-01 -0.301641D+01 -0.163020D+01  0.768597D+01 -0.230529D+02
      5   0.688970D+01 -0.580381D+02  0.914495D+01  0.549446D+01  0.322581D+02
      6   0.133386D+01  0.142392D+01  0.825668D+00 -0.323337D+01  0.104518D+02
               101           102           103           104           105 
      1  -0.176477D+02  0.287196D+02 -0.280689D+02  0.108496D+02 -0.568593D+01
      2   0.704766D+01 -0.165125D+01  0.199030D+02 -0.719762D+01 -0.978354D+01
      3   0.106001D+02 -0.270683D+02  0.816595D+01 -0.365201D+01  0.154695D+02
      4   0.526515D+01 -0.144771D+00  0.257987D+01  0.363691D+02  0.965477D+01
      5   0.402865D+01  0.181059D+02  0.145353D+02  0.620044D+01 -0.163169D+02
      6  -0.332362D+01  0.210328D+01 -0.158558D+01 -0.176312D+02 -0.601004D+01
               106           107           108           109           110 
      1   0.232481D+01 -0.709441D+01  0.332176D+02 -0.939500D+02  0.188241D+02
      2   0.159005D+02 -0.495266D+01 -0.146870D+02  0.399000D+02 -0.244983D+01
      3  -0.182253D+02  0.120471D+02 -0.185306D+02  0.540500D+02 -0.163742D+02
      4   0.188309D+01  0.641907D+01 -0.148221D+02  0.312785D+02 -0.213761D+02
      5   0.407643D+02 -0.135984D+02 -0.173573D+02 -0.124689D+02  0.674913D+01
      6  -0.167162D+01 -0.341391D+01  0.132431D+02  0.578417D+01 -0.117268D+01
               111           112           113           114           115 
      1  -0.553723D+01  0.311231D+02 -0.139786D+02  0.292951D+01  0.238782D+02
      2   0.209037D+01 -0.824917D+01  0.961270D+01 -0.183113D+01 -0.161297D+02
      3   0.344686D+01 -0.228740D+02  0.436588D+01 -0.109838D+01 -0.774848D+01
      4   0.395176D+01 -0.551620D+01  0.215552D+02  0.108355D+01 -0.553188D+00
      5  -0.451105D+01  0.114119D+02 -0.914581D+00  0.321138D+01  0.246044D+02
      6   0.343049D+01 -0.195436D+01  0.302948D+01  0.866965D+00 -0.357927D+01
               116           117           118           119           120 
      1   0.128901D+01  0.255900D+02 -0.408565D+01  0.658281D+01  0.155255D+01
      2   0.506917D+00 -0.502581D+01  0.734001D+01 -0.160333D+01 -0.624286D+00
      3  -0.179593D+01 -0.205642D+02 -0.325436D+01 -0.497949D+01 -0.928264D+00
      4   0.306869D+01 -0.531618D+01  0.118324D+02  0.102466D+02 -0.966342D+00
      5  -0.551467D+01  0.584060D+01  0.561734D+00 -0.135065D+01  0.733957D+01
      6  -0.375813D+01 -0.277669D+01 -0.133164D+01 -0.931681D+00  0.177575D+00
               121           122           123           124           125 
      1   0.107690D+02 -0.126530D+02  0.290080D+01  0.267724D+01 -0.215742D+00
      2  -0.719125D+00  0.264872D+02 -0.158818D+01 -0.141585D+01  0.170417D+01
      3  -0.100499D+02 -0.138342D+02 -0.131262D+01 -0.126139D+01 -0.148842D+01
      4   0.178287D+02  0.478190D+02 -0.215129D+01 -0.124317D+00  0.292713D+00
      5  -0.462706D+00 -0.202192D+01  0.104503D+02  0.928886D+01  0.526838D+01
      6  -0.158875D+01 -0.634313D+01  0.457929D+01  0.152937D+01  0.527408D+01
               126           127           128           129           130 
      1   0.103694D+01  0.108060D+03  0.109394D+02 -0.190854D+02  0.195211D+02
      2  -0.247281D+00 -0.638216D+02 -0.521702D+01  0.167700D+02 -0.107359D+02
      3  -0.789656D+00 -0.442379D+02 -0.572237D+01  0.231538D+01 -0.878515D+01
      4   0.568252D+01  0.168256D+02  0.142222D+02 -0.297085D+01  0.177043D+02
      5  -0.178455D+01 -0.585356D+02 -0.488346D+01  0.275716D+02 -0.123234D+02
      6  -0.713856D+00 -0.694510D+01 -0.546153D+01  0.150114D+01 -0.623587D+01
               131           132           133           134           135 
      1   0.937209D+01 -0.208818D+01 -0.714178D+01  0.560935D+00  0.648752D+01
      2  -0.389815D+01  0.399737D+01  0.723359D+01  0.129513D+01 -0.655225D+01
      3  -0.547394D+01 -0.190919D+01 -0.918123D-01 -0.185607D+01  0.647275D-01
      4   0.350572D+01 -0.479539D+01 -0.902728D+00 -0.186334D+01  0.368427D+01
      5  -0.652782D+01  0.796281D+01  0.150310D+02  0.344124D+01 -0.642907D+01
      6  -0.720749D+00  0.325107D+01  0.143381D+01  0.149115D+01 -0.193937D+01
               136           137           138           139           140 
      1  -0.527511D+01  0.700853D+01 -0.208705D+02  0.814908D+01 -0.983512D+01
      2  -0.749424D+00 -0.158668D+01 -0.174133D+01 -0.505196D+01  0.198925D+01
      3   0.602454D+01 -0.542185D+01  0.226118D+02 -0.309712D+01  0.784587D+01
      4   0.349501D+01 -0.397985D+01  0.286477D+01  0.108790D+01  0.442414D+01
      5  -0.960190D+00  0.205381D+00 -0.111065D+02 -0.595013D+01 -0.735564D+01
      6  -0.317080D+01  0.461458D+01 -0.429177D+01  0.319353D+00 -0.606959D+01
               141           142           143           144           145 
      1   0.119197D+02 -0.937226D+01  0.792461D+01 -0.360657D+02  0.640862D+01
      2   0.364583D+01  0.307778D+01  0.211108D+01 -0.122004D+02 -0.175924D+01
      3  -0.155655D+02  0.629449D+01 -0.100357D+02  0.482661D+02 -0.464937D+01
      4  -0.101588D+02 -0.747396D+00 -0.851837D+01  0.113097D+02 -0.499163D+01
      5   0.157904D+02  0.492858D+01  0.849023D+01 -0.357757D+02 -0.385980D+01
      6   0.111973D+02 -0.826314D-01  0.901122D+01 -0.117862D+02  0.247950D+01
               146           147           148           149           150 
      1  -0.530316D+01 -0.500523D+01 -0.115610D+02 -0.988736D+01 -0.312494D+01
      2   0.291759D+01  0.495931D+00  0.719382D+01  0.132106D+02 -0.250873D+01
      3   0.238557D+01  0.450930D+01  0.436720D+01 -0.332322D+01  0.563367D+01
      4   0.289846D+01  0.778170D+00  0.108106D+02 -0.460853D+02 -0.127595D+02
      5   0.236454D+01 -0.117916D+01  0.120719D+02 -0.118138D+02 -0.155163D+02
      6   0.668471D-01 -0.504547D-02 -0.414092D+01  0.255424D+02  0.108811D+02
               151           152           153           154           155 
      1  -0.608526D+00 -0.204870D+01 -0.651218D+01  0.190427D+03 -0.299845D+02
      2  -0.505623D+00 -0.522627D+00  0.113938D+01 -0.891091D+02  0.929271D+01
      3   0.111415D+01  0.257132D+01  0.537280D+01 -0.101318D+03  0.206918D+02
      4   0.181866D+01 -0.558358D+01 -0.561942D+01 -0.415957D+02  0.393440D+02
      5   0.486067D+00 -0.558664D+01 -0.342700D+01  0.317428D+02 -0.633948D+01
      6  -0.146957D+01  0.731548D+01  0.357533D+01 -0.517861D+01  0.454392D+01
               156           157           158           159           160 
      1   0.570752D+01 -0.416508D+02  0.343519D+02 -0.897941D+00  0.642038D+01
      2  -0.781687D+01  0.139991D+02 -0.895386D+01  0.192748D+01 -0.733317D+01
      3   0.210935D+01  0.276518D+02 -0.253981D+02 -0.102954D+01  0.912795D+00
      4  -0.277062D+01  0.528880D+02 -0.376921D+02  0.242051D+01 -0.278900D+01
      5   0.366184D+02 -0.937975D+01  0.728985D+01 -0.123981D+02  0.342530D+02
      6  -0.211751D+01  0.901217D+01 -0.639967D+01  0.564486D+01 -0.395813D+01
               161           162           163           164           165 
      1  -0.666988D+00  0.193352D+02  0.476474D+02 -0.885251D+01  0.150128D+02
      2   0.103633D+01 -0.133193D+02 -0.340125D+02  0.354655D+01 -0.991594D+01
      3  -0.369338D+00 -0.601592D+01 -0.136349D+02  0.530597D+01 -0.509682D+01
      4   0.815468D+00 -0.767235D+01 -0.874315D+01  0.794493D+01  0.132222D+01
      5  -0.854727D+01  0.403760D+01  0.323309D+02 -0.885620D+00  0.186347D+02
      6   0.512795D+01 -0.175873D+01 -0.345480D+01  0.142665D+01  0.781118D+00
               166           167           168           169           170 
      1  -0.162233D+02 -0.599931D+01  0.256608D-01 -0.251423D+01  0.198668D+00
      2   0.887104D+01  0.130036D+01  0.772785D+00 -0.222118D+01 -0.721872D+00
      3   0.735222D+01  0.469896D+01 -0.798446D+00  0.473541D+01  0.523204D+00
      4   0.656173D+01  0.122702D+01  0.108467D+02  0.405266D+01  0.521663D+01
      5  -0.721692D+01  0.110573D+02 -0.294204D+01  0.156157D+02  0.366880D+01
      6   0.161676D+01  0.650537D+00  0.115578D+02  0.278413D+01  0.109948D+02
               171           172           173           174           175 
      1  -0.327292D+02 -0.470441D+02  0.761182D+01  0.591766D+01  0.143192D+02
      2  -0.138019D+02  0.298675D+02 -0.372078D+01  0.565856D+01 -0.941379D+01
      3   0.465310D+02  0.171766D+02 -0.389104D+01 -0.115762D+02 -0.490540D+01
      4   0.606917D+01  0.674311D+01 -0.482873D+01 -0.114966D+01 -0.111973D+01
      5   0.450369D+02 -0.253864D+02  0.133485D+01 -0.155984D+02  0.689216D+01
      6   0.400030D+01  0.298762D+01 -0.379763D+01 -0.186542D+01 -0.104682D+01
               176           177           178           179           180 
      1  -0.667645D+01 -0.188097D+01 -0.804242D+01  0.131233D+00 -0.892872D+01
      2   0.400912D+01 -0.119215D+01  0.108467D+02 -0.435869D+00  0.462789D+01
      3   0.266733D+01  0.307311D+01 -0.280424D+01  0.304636D+00  0.430084D+01
      4   0.243766D+01  0.321004D+01  0.191652D+01 -0.903878D-01  0.102369D+01
      5   0.178701D+01  0.523041D+01 -0.993493D+01  0.667390D+00 -0.264995D+01
      6   0.253233D+01  0.358728D+01 -0.110756D+01  0.120920D+01  0.818789D+00
               181           182           183           184           185 
      1   0.290903D+02  0.523001D+02  0.457991D+00 -0.421499D+02  0.204965D+02
      2  -0.138327D+02 -0.435313D+02 -0.344960D+00  0.329264D+02 -0.248018D+02
      3  -0.152576D+02 -0.876882D+01 -0.113032D+00  0.922350D+01  0.430525D+01
      4   0.517080D+01  0.401864D+02 -0.282847D+01  0.195229D+01  0.396596D+02
      5   0.555360D+01 -0.567144D+01  0.109444D+02  0.948030D+00  0.119101D+01
      6  -0.382727D+01  0.186965D+01 -0.765906D+01  0.114402D+01 -0.169275D+01
               186           187           188           189           190 
      1   0.250027D+01  0.138173D+01 -0.633270D+01  0.611545D+01  0.123723D+03
      2  -0.242142D+01  0.106475D+01  0.341107D+01 -0.830459D+01 -0.612728D+02
      3  -0.788510D-01 -0.244648D+01  0.292163D+01  0.218914D+01 -0.624499D+02
      4   0.147055D+01 -0.513162D+01 -0.422458D+00 -0.242634D+02  0.108496D+02
      5  -0.623510D+01  0.358870D+02 -0.191382D+02 -0.334891D+01  0.184429D+01
      6   0.288235D+01 -0.245154D+02  0.135216D+02  0.347537D+01 -0.182301D+01
               191           192           193           194           195 
      1  -0.108096D+01 -0.726222D+01 -0.329690D+02 -0.435905D+02  0.698801D+00
      2  -0.103282D+02  0.186568D+01  0.336469D+01  0.464517D+02  0.133862D+01
      3   0.114091D+02  0.539653D+01  0.296043D+02 -0.286120D+01 -0.203742D+01
      4   0.200479D+02 -0.519587D+00 -0.422738D+02 -0.663115D+02  0.179069D+01
      5   0.509507D+00  0.217920D+01 -0.168478D+01  0.940550D+00 -0.202224D+01
      6   0.999696D+00 -0.262916D+01  0.299578D+01  0.791042D+00 -0.516910D+01
               196           197           198           199           200 
      1  -0.272701D+01 -0.224649D+01  0.240191D+02 -0.106945D+03 -0.234617D+02
      2   0.145065D+01  0.250765D+01 -0.211157D+02  0.361741D+02  0.250625D+02
      3   0.127636D+01 -0.261162D+00 -0.290343D+01  0.707704D+02 -0.160080D+01
      4  -0.327269D+01 -0.270787D+01 -0.934684D+00 -0.333463D+02 -0.344334D+02
      5   0.486038D+02 -0.592520D+01 -0.389389D+01  0.208625D+01  0.347288D+01
      6  -0.148409D+01  0.291250D+01 -0.296611D+00  0.425421D+01  0.995902D+00
               201           202           203           204           205 
      1   0.637629D+01  0.788617D+02  0.164353D+02 -0.414531D+01  0.970107D+01
      2  -0.230032D+01 -0.462739D+02 -0.239052D+02  0.213038D+01 -0.425623D+01
      3  -0.407597D+01 -0.325879D+02  0.746987D+01  0.201493D+01 -0.544485D+01
      4   0.337992D+01  0.267230D+02  0.218526D+02 -0.176412D+01  0.539250D+01
      5   0.577756D+01 -0.171906D+01 -0.645581D+00  0.996973D+01  0.122564D+01
      6   0.468896D+00 -0.198844D+01 -0.626684D+00  0.621079D+01  0.245774D+01
               206           207           208           209           210 
      1   0.530830D+01 -0.175856D+02  0.281833D+02 -0.608575D+01  0.896110D+00
      2  -0.425402D+01 -0.769385D+00 -0.191632D+02  0.562200D+01  0.135994D+01
      3  -0.105428D+01  0.183550D+02 -0.902009D+01  0.463747D+00 -0.225605D+01
      4   0.339577D+01  0.181825D+02 -0.157897D+02  0.111465D+02  0.591709D+00
      5   0.227736D+02  0.355852D+01 -0.276360D+01 -0.111992D+00  0.206295D+02
      6   0.115095D+02 -0.127593D+00  0.900327D+00 -0.133949D+01  0.288478D+01
               211           212           213           214           215 
      1  -0.195870D+02  0.566286D+01  0.338045D+01 -0.362620D+00 -0.209679D+00
      2   0.113500D+02 -0.331413D+01 -0.162658D+01  0.151372D+01 -0.509600D+00
      3   0.823700D+01 -0.234873D+01 -0.175387D+01 -0.115110D+01  0.719278D+00
      4   0.264656D+02 -0.175582D+02 -0.157786D+01  0.956489D+00 -0.752983D+00
      5   0.272843D+01 -0.451419D+00  0.124983D+02  0.137532D+02 -0.492038D+01
      6  -0.468743D+00  0.326912D+00  0.110126D+02 -0.103799D+01  0.396113D+01
               216           217           218           219           220 
      1   0.502315D+01 -0.888501D+02 -0.260686D+01  0.121197D+02  0.188135D+02
      2  -0.394771D+01  0.500760D+02  0.479079D+01 -0.661883D+01 -0.673380D+01
      3  -0.107544D+01  0.387742D+02 -0.218393D+01 -0.550084D+01 -0.120797D+02
      4  -0.588798D+01  0.101864D+01  0.228191D+02 -0.234213D+01  0.491210D+00
      5  -0.309373D+01  0.109112D+02 -0.279176D+01  0.167233D+02 -0.629086D+01
      6   0.403666D+00  0.736713D+00 -0.226692D+01  0.688637D+01 -0.196568D+01
               221           222           223           224           225 
      1   0.175831D+02 -0.100482D+02  0.103059D+02 -0.545824D+01  0.238652D+02
      2  -0.858249D+01  0.342033D+01 -0.580558D+01  0.176874D+01 -0.180563D+02
      3  -0.900058D+01  0.662791D+01 -0.450027D+01  0.368951D+01 -0.580892D+01
      4   0.351578D+01 -0.615879D-01 -0.367891D+01 -0.183502D+01 -0.357936D+02
      5  -0.518419D-01 -0.583815D+02 -0.436275D+01 -0.388505D+02 -0.705164D+01
      6   0.110999D+01 -0.240830D+02 -0.694917D+01 -0.181536D+02  0.312944D-01
               226           227           228           229           230 
      1  -0.668923D+01 -0.147775D+02  0.472175D+00 -0.521204D+01 -0.548616D+02
      2   0.792371D+01  0.161660D+02 -0.264082D+00  0.520954D+01  0.725323D+02
      3  -0.123448D+01 -0.138845D+01 -0.208093D+00  0.250323D-02 -0.176706D+02
      4   0.572292D+00  0.477503D+01  0.242332D+00  0.368037D+01 -0.215998D+02
      5   0.370017D+00  0.642817D+00  0.833571D+00  0.751170D-01  0.197741D+01
      6  -0.315415D+00 -0.797014D+00  0.199798D+01  0.161325D+00 -0.965618D+00
               231           232           233           234           235 
      1  -0.576068D+00  0.718534D+00  0.121369D+00 -0.817413D+00  0.361946D+02
      2   0.690991D+00 -0.484993D+00  0.173968D+00  0.166515D+01 -0.730713D+01
      3  -0.114922D+00 -0.233542D+00 -0.295337D+00 -0.847741D+00 -0.288875D+02
      4  -0.589037D-03 -0.386850D-01 -0.687953D+00  0.889196D+00 -0.510603D+02
      5  -0.215708D+01  0.219604D+01  0.461967D+00 -0.232676D+00 -0.346433D+01
      6   0.789262D+01 -0.916637D+00  0.306235D+01  0.938744D-01  0.268051D+01
               236           237           238           239           240 
      1  -0.182213D+02 -0.242724D+01 -0.173688D+02  0.877134D+01  0.736736D+00
      2  -0.193335D+01  0.651848D+00 -0.730386D+01  0.158816D+02  0.846339D+00
      3   0.201547D+02  0.177539D+01  0.246726D+02 -0.246530D+02 -0.158308D+01
      4   0.409448D+02  0.423717D+01  0.489623D+02 -0.538081D+02 -0.433687D+01
      5   0.215106D+01  0.711292D+01  0.219725D+01 -0.195855D+01 -0.685617D+01
      6  -0.201101D+01 -0.412301D+01 -0.226219D+01  0.275523D+01  0.571779D+01
               241           242           243           244           245 
      1  -0.331932D+01  0.130595D+01 -0.414444D+00  0.998911D+01  0.107861D+02
      2   0.576614D+00  0.466624D+00  0.121913D+01 -0.269245D+01 -0.346936D+01
      3   0.274270D+01 -0.177258D+01 -0.804682D+00 -0.729665D+01 -0.731678D+01
      4   0.502265D+01 -0.418415D+01 -0.383204D+01  0.166716D+02  0.133085D+02
      5  -0.475179D-01 -0.291172D+01 -0.946987D+00 -0.278140D+00 -0.504109D+00
      6   0.546949D+00  0.285676D+01  0.653387D+00 -0.111659D+00 -0.418735D+00
               246           247           248           249           250 
      1  -0.482358D+00  0.999208D+01 -0.682751D+01 -0.533611D+00 -0.387258D+00
      2   0.241217D+00  0.139588D+01  0.195971D+02  0.804442D-02  0.224137D+00
      3   0.241141D+00 -0.113880D+02 -0.127696D+02  0.525567D+00  0.163121D+00
      4  -0.100225D+01  0.239274D+02  0.399641D+02 -0.572673D+00 -0.681437D+00
      5   0.104706D+01  0.176936D+00  0.140176D+01  0.395392D+01  0.771037D+00
      6   0.386348D+00 -0.359706D-01  0.146126D+00  0.445197D+01  0.174914D+01
               251           252           253           254           255 
      1  -0.114321D+01 -0.102815D+01  0.213648D+01  0.325642D+01  0.873063D+01
      2   0.668035D+00  0.185031D+01 -0.128021D+01 -0.315316D+01 -0.409937D+01
      3   0.475170D+00 -0.822155D+00 -0.856266D+00 -0.103260D+00 -0.463127D+01
      4  -0.659463D-01 -0.133427D+00 -0.181118D+01 -0.422790D+01  0.194563D+01
      5  -0.102782D+01 -0.428525D-01  0.662869D+01  0.426941D+00 -0.645567D+01
      6   0.122024D+01 -0.292816D-02  0.228591D+01 -0.553142D+00 -0.384771D+01
               256           257           258           259           260 
      1   0.548273D+01 -0.160814D+01 -0.583624D+00  0.261143D+02  0.515225D+01
      2   0.366491D+00  0.848944D+01  0.489740D+01 -0.117755D+02  0.204280D+01
      3  -0.584922D+01 -0.688130D+01 -0.431378D+01 -0.143388D+02 -0.719505D+01
      4   0.187763D+02  0.276343D+02  0.188494D+02  0.250935D+02  0.268627D+02
      5   0.114130D+02  0.197895D+02  0.250784D+02  0.217969D+02  0.268486D+02
      6   0.494559D+01  0.964835D+01  0.122439D+02  0.886593D+01  0.132737D+02
               261           262           263           264           265 
      1  -0.571770D+01  0.195481D+03  0.131128D+02 -0.121698D+02 -0.118113D+02
      2   0.119864D+01 -0.101133D+03 -0.394620D+01  0.718610D+01  0.926544D+01
      3   0.451906D+01 -0.943488D+02 -0.916660D+01  0.498372D+01  0.254583D+01
      4   0.248570D+02  0.359664D+02  0.186103D+02 -0.221108D+01  0.161887D+02
      5   0.494104D+02 -0.145995D+02 -0.940531D+00  0.182915D+02  0.763260D+00
      6   0.180112D+02 -0.211004D+01 -0.815396D+00  0.305443D+01 -0.695659D+00
               266           267           268           269           270 
      1   0.146153D+02  0.110188D+01 -0.133984D+02 -0.437071D+00  0.141829D+02
      2  -0.730750D+01 -0.853073D+00  0.801442D+01  0.100807D+00 -0.806352D+01
      3  -0.730778D+01 -0.248802D+00  0.538400D+01  0.336263D+00 -0.611941D+01
      4  -0.116249D+01 -0.137742D+01 -0.253362D+01 -0.163751D+01  0.575391D+01
      5  -0.159120D+01  0.863225D+00  0.216407D+02  0.482680D+01 -0.424142D+01
      6  -0.104882D+00  0.182344D+01  0.312465D+01  0.276357D+01 -0.744124D+00
               271           272           273           274           275 
      1  -0.255739D+01  0.491444D+01 -0.124551D+02  0.505964D+01 -0.712898D+01
      2   0.636559D+00 -0.471593D+01  0.542290D+01 -0.547677D+00  0.109208D+02
      3   0.192083D+01 -0.198506D+00  0.703216D+01 -0.451196D+01 -0.379179D+01
      4  -0.396160D+01 -0.764739D+01  0.200091D+01  0.163158D+02  0.287070D+02
      5  -0.531654D+01  0.331377D+01 -0.111967D+02 -0.818294D+01 -0.200375D+02
      6  -0.175117D+01  0.340350D+01 -0.643155D+01 -0.451640D+01 -0.126104D+02
               276           277           278           279 
      1   0.729375D+01 -0.219064D+02  0.186132D+01 -0.128887D+02
      2  -0.714754D+01  0.104462D+02 -0.381516D+01  0.249941D+01
      3  -0.146206D+00  0.114601D+02  0.195384D+01  0.103893D+02
      4  -0.202580D+02 -0.189431D+02 -0.244381D+02  0.250002D+02
      5   0.259623D+02  0.171594D+02  0.262536D+02 -0.431786D+02
      6   0.145254D+02  0.787579D+01  0.151197D+02 -0.192905D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x         -0.205154D+01     -0.521450D+01     -0.173937D+02
   y          0.144099D+00      0.366262D+00      0.122172D+01
   z         -0.612924D+00     -0.155790D+01     -0.519659D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.276001D+03      0.408992D+02      0.455064D+02
   yx        -0.698195D+01     -0.103462D+01     -0.115117D+01
   yy         0.160135D+03      0.237295D+02      0.264027D+02
   zx        -0.123091D+02     -0.182402D+01     -0.202950D+01
   zy         0.186296D+01      0.276062D+00      0.307160D+00
   zz         0.111988D+03      0.165950D+02      0.184644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195008D+03      0.288973D+02      0.321525D+02
   aniso      0.160481D+03      0.237808D+02      0.264597D+02
   xx         0.296082D+03      0.438749D+02      0.488174D+02
   yx        -0.914783D+01     -0.135557D+01     -0.150827D+01
   yy         0.170287D+03      0.252339D+02      0.280765D+02
   zx        -0.129695D+02     -0.192188D+01     -0.213838D+01
   zy         0.210864D+01      0.312469D+00      0.347669D+00
   zz         0.118656D+03      0.175830D+02      0.195638D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.03032674         -1.53614494          1.45802895
     6         -0.40686792          1.05294070          2.08052490
     6          0.95071921         -2.16942227         -0.94391014
     6          1.56147538         -0.34883026         -2.69474968
     6          1.17261553          2.22295217         -2.05924791
     6          0.22112581          2.89897364          0.24835520
     6         -0.65580265         -3.38986757          3.28590797
     1          1.23874679         -4.14909030         -1.39057990
     1          1.62299653          3.67164593         -3.43253394
     1         -0.06928446          4.87477777          0.69757010
     6          2.60160473         -1.04665650         -5.26557781
     6          5.24877169          0.00121637         -5.75082758
     6          0.78413516         -0.31236429         -7.40329264
     1          2.69186496         -3.11401840         -5.35506871
     1          5.92502113         -0.58313216         -7.60297792
     1          6.54856874         -0.68060275         -4.30563665
     1          5.24985530          2.06014458         -5.70638795
     8          1.43746567          0.48096423         -9.41985170
     8         -1.69427245         -0.70880413         -6.91155730
     1         -1.90436302         -1.18749399         -5.15579427
     6         -1.60012769         -2.72130192          5.59007984
     6         -1.97609214         -0.14231789          6.20340013
     6         -1.38977477          1.71170793          4.47952416
     8         -2.92573118          0.27526873          8.54876791
     6         -3.36036901          2.80971306          9.30335281
     1         -0.37339857         -5.36526026          2.83054391
     1         -2.08274661         -4.12406193          6.99611429
     1         -1.66152977          3.68837255          4.90971004
     1         -1.60454181          3.90001390          9.30839808
     1         -4.11262685          2.71296143         11.21217472
     1         -4.73479231          3.73273743          8.06617871

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.214599D+01      0.545456D+01      0.181945D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.132243D+03      0.195964D+02      0.218040D+02
   yx        -0.131450D+01     -0.194788D+00     -0.216731D+00
   yy         0.159679D+03      0.236619D+02      0.263274D+02
   zx        -0.553526D+02     -0.820242D+01     -0.912642D+01
   zy        -0.246433D+01     -0.365176D+00     -0.406313D+00
   zz         0.256202D+03      0.379653D+02      0.422421D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195008D+03      0.288973D+02      0.321525D+02
   aniso      0.160481D+03      0.237808D+02      0.264597D+02
   xx         0.140320D+03      0.207933D+02      0.231357D+02
   yx        -0.837545D+00     -0.124111D+00     -0.138093D+00
   yy         0.169652D+03      0.251399D+02      0.279719D+02
   zx        -0.595553D+02     -0.882518D+01     -0.981934D+01
   zy        -0.409620D+01     -0.606994D+00     -0.675372D+00
   zz         0.275053D+03      0.407586D+02      0.453500D+02

 ----------------------------------------------------------------------
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 KNIGHT- SIRE, I'VE JUST RETURNED FROM THE FRONT
 KING-   HOW GOES THE BATTLE                    
 KNIGHT- THE SITUATION IS QUITE FLUID           
 KING-   WHAT DOES *THAT* MEAN                  
 KNIGHT- WE'RE UP THE CREEK                     
                THE WIZARD OF ID                
 Job cpu time:       0 days 15 hours 57 minutes  3.4 seconds.
 Elapsed time:       0 days  1 hours 59 minutes 44.3 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 00:36:03 2021.
